1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane

C22H26F4O — CID 91103793

IUPAC1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
SMILESCC1CCC(OCF)CC1.CCc1ccc(-c2ccc(F)cc2)c(F)c1F
InChIInChI=1S/C14H11F3.C8H15FO/c1-2-9-5-8-12(14(17)13(9)16)10-3-6-11(15)7-4-10;1-7-2-4-8(5-3-7)10-6-9/h3-8H,2H2,1H3;7-8H,2-6H2,1H3
InChIKeyRSHCHKLUMAGOII-UHFFFAOYSA-N
MW382.44 g/mol
LogP6.84
Rot. Bonds4

About 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane

1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane (PubChem CID 91103793) has the molecular formula C22H26F4O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
PubChem CID91103793
Molecular FormulaC22H26F4O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
SMILESCC1CCC(OCF)CC1.CCc1ccc(-c2ccc(F)cc2)c(F)c1F
InChIInChI=1S/C14H11F3.C8H15FO/c1-2-9-5-8-12(14(17)13(9)16)10-3-6-11(15)7-4-10;1-7-2-4-8(5-3-7)10-6-9/h3-8H,2H2,1H3;7-8H,2-6H2,1H3
InChIKeyRSHCHKLUMAGOII-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
1-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67734076
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
CID 142370670
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
CID 70820703
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-[4-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 143773014
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane?
The IUPAC name of 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane (CID 91103793) is 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane is CC1CCC(OCF)CC1.CCc1ccc(-c2ccc(F)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane?
The InChIKey is RSHCHKLUMAGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3.C8H15FO/c1-2-9-5-8-12(14(17)13(9)16)10-3-6-11(15)7-4-10;1-7-2-4-8(5-3-7)10-6-9/h3-8H,2H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane?
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane has a molecular weight of 382.44 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane is sourced from PubChem (CID 91103793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).