2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene

C22H24F4O — CID 118595774

IUPAC2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2F)CC1
InChIInChI=1S/C22H24F4O/c1-2-3-14-4-6-15(7-5-14)17-9-10-18(22(26)21(17)25)16-8-11-20(27-13-23)19(24)12-16/h8-12,14-15H,2-7,13H2,1H3
InChIKeyCDVQBLMNWUTJKY-UHFFFAOYSA-N
MW380.43 g/mol
LogP7.15
Rot. Bonds6

About 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene

2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 118595774) has the molecular formula C22H24F4O and a molecular weight of 380.43 g/mol. Its IUPAC name is 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
PubChem CID118595774
Molecular FormulaC22H24F4O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2F)CC1
InChIInChI=1S/C22H24F4O/c1-2-3-14-4-6-15(7-5-14)17-9-10-18(22(26)21(17)25)16-8-11-20(27-13-23)19(24)12-16/h8-12,14-15H,2-7,13H2,1H3
InChIKeyCDVQBLMNWUTJKY-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 141107099
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene
CID 118858878
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-octoxybenzene
CID 67730257
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738142
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene (CID 118595774) is 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(-c3ccc(OCF)c(F)c3)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is CDVQBLMNWUTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O/c1-2-3-14-4-6-15(7-5-14)17-9-10-18(22(26)21(17)25)16-8-11-20(27-13-23)19(24)12-16/h8-12,14-15H,2-7,13H2,1H3.
What are the key properties of 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene?
2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 380.43 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 118595774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).