tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane

C60H47F19N4O4 — CID 162077788

IUPACtetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane
SMILESCC1CCC(CF)CC1.Cc1cc(F)c(CF)c(F)c1.Cc1ccc(CF)c(F)c1.Cc1ccc(CF)cc1.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F
InChIInChI=1S/C8H7F3.C8H8F2.C8H15F.C8H9F.4C7H2F3NO/c1-5-2-7(10)6(4-9)8(11)3-5;1-6-2-3-7(5-9)8(10)4-6;2*1-7-2-4-8(6-9)5-3-7;4*8-6-1-4(12-10)2-7(9)5(6)3-11/h2-3H,4H2,1H3;2-4H,5H2,1H3;7-8H,2-6H2,1H3;2-5H,6H2,1H3;4*1-2H
InChIKeyZBXYQKPGVWUNGD-UHFFFAOYSA-N
MW1249.02 g/mol
LogP18.99
Rot. Bonds8

About tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane

tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane (PubChem CID 162077788) has the molecular formula C60H47F19N4O4 and a molecular weight of 1249.02 g/mol. Its IUPAC name is tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane.

Molecular Properties

Compound Nametetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane
PubChem CID162077788
Molecular FormulaC60H47F19N4O4
Molecular Weight1249.02 g/mol
Exact Mass1248.33
IUPAC Nametetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane
SMILESCC1CCC(CF)CC1.Cc1cc(F)c(CF)c(F)c1.Cc1ccc(CF)c(F)c1.Cc1ccc(CF)cc1.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F
InChIInChI=1S/C8H7F3.C8H8F2.C8H15F.C8H9F.4C7H2F3NO/c1-5-2-7(10)6(4-9)8(11)3-5;1-6-2-3-7(5-9)8(10)4-6;2*1-7-2-4-8(6-9)5-3-7;4*8-6-1-4(12-10)2-7(9)5(6)3-11/h2-3H,4H2,1H3;2-4H,5H2,1H3;7-8H,2-6H2,1H3;2-5H,6H2,1H3;4*1-2H
InChIKeyZBXYQKPGVWUNGD-UHFFFAOYSA-N
XLogP18.99
TPSA132.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.02
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene
CID 90942525
(4-cyano-3,5-difluorophenyl) hypofluorite;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;ethane
CID 160927274
2-[3,5-difluoro-4-(fluoromethyl)phenyl]-1,3-difluoro-5-methylbenzene;(3,4,5-trifluorophenyl) hypofluorite
CID 90877463
2,6-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 20708995
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
5-[2-[3,5-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2,6-difluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3,5-difluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-[3,5-dimethyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene
CID 158050294
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile
CID 66585049
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
4-[difluoro-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]methoxy]-2,6-difluorobenzonitrile
CID 70176548
3-methyl-6-[2-(4-methylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile
CID 66584965
1,3-difluoro-2-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-5-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-2-[2-(4-methylphenyl)ethynyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;1,3-difluoro-5-methyl-2-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;5-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;5-[2-[3-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1,3-dimethyl-2-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-1-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;2-fluoro-4-methyl-1-[2-[4-[2-[3-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]benzene;2-[2-(2-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene;2-[2-(3-fluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-[2-[4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]benzene
CID 159157980

Frequently Asked Questions

What is the IUPAC name of tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane?
The IUPAC name of tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane (CID 162077788) is tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane.
What is the SMILES notation for tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane?
The canonical SMILES for tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane is CC1CCC(CF)CC1.Cc1cc(F)c(CF)c(F)c1.Cc1ccc(CF)c(F)c1.Cc1ccc(CF)cc1.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.N#Cc1c(F)cc(OF)cc1F.
What is the InChIKey of tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane?
The InChIKey is ZBXYQKPGVWUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C8H8F2.C8H15F.C8H9F.4C7H2F3NO/c1-5-2-7(10)6(4-9)8(11)3-5;1-6-2-3-7(5-9)8(10)4-6;2*1-7-2-4-8(6-9)5-3-7;4*8-6-1-4(12-10)2-7(9)5(6)3-11/h2-3H,4H2,1H3;2-4H,5H2,1H3;7-8H,2-6H2,1H3;2-5H,6H2,1H3;4*1-2H.
What are the key properties of tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane?
tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane has a molecular weight of 1249.02 g/mol, XLogP of 18.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((4-cyano-3,5-difluorophenyl) hypofluorite);1,3-difluoro-2-(fluoromethyl)-5-methylbenzene;2-fluoro-1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylbenzene;1-(fluoromethyl)-4-methylcyclohexane is sourced from PubChem (CID 162077788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).