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

C15H10F5NO — CID 90942525

IUPAC(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene
SMILESCc1ccc(CF)c(F)c1.N#Cc1c(F)cc(OF)cc1F
InChIInChI=1S/C8H8F2.C7H2F3NO/c1-6-2-3-7(5-9)8(10)4-6;8-6-1-4(12-10)2-7(9)5(6)3-11/h2-4H,5H2,1H3;1-2H
InChIKeyLLNCYRDBQXWOGL-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.70
Rot. Bonds2

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

(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene (PubChem CID 90942525) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene.

Molecular Properties

Compound Name(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene
PubChem CID90942525
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene
SMILESCc1ccc(CF)c(F)c1.N#Cc1c(F)cc(OF)cc1F
InChIInChI=1S/C8H8F2.C7H2F3NO/c1-6-2-3-7(5-9)8(10)4-6;8-6-1-4(12-10)2-7(9)5(6)3-11/h2-4H,5H2,1H3;1-2H
InChIKeyLLNCYRDBQXWOGL-UHFFFAOYSA-N
XLogP4.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
(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
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839
[3,5-difluoro-4-(trifluoromethyl)phenyl] hypofluorite;2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
CID 158422775
(2-fluoro-4-methylphenyl) 4-cyano-3,5-difluorobenzoate
CID 59760365
4-[difluoro-(4-methylphenyl)methoxy]-2,6-difluorobenzonitrile;methane
CID 158309078
[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite
CID 118067719
(4-cyano-3,5-difluorophenyl) 3-fluoro-4-propylbenzoate
CID 163543701
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
4-(difluoromethoxy)-2,6-difluorobenzonitrile
CID 53417928
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857

Frequently Asked Questions

What is the IUPAC name of (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene?
The IUPAC name of (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene (CID 90942525) is (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene.
What is the SMILES notation for (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene?
The canonical SMILES for (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene is Cc1ccc(CF)c(F)c1.N#Cc1c(F)cc(OF)cc1F.
What is the InChIKey of (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene?
The InChIKey is LLNCYRDBQXWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C7H2F3NO/c1-6-2-3-7(5-9)8(10)4-6;8-6-1-4(12-10)2-7(9)5(6)3-11/h2-4H,5H2,1H3;1-2H.
What are the key properties of (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene?
(4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene has a molecular weight of 315.24 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3,5-difluorophenyl) hypofluorite;2-fluoro-1-(fluoromethyl)-4-methylbenzene is sourced from PubChem (CID 90942525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).