2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene

C24H27F5O — CID 19366440

IUPAC2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H27F5O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(25)15-20)10-6-17-7-13-23(22(26)14-17)30-24(27,28)29/h7,11-16,18H,2-6,8-10H2,1H3
InChIKeySJJVINCTDPGIRV-UHFFFAOYSA-N
MW426.47 g/mol
LogP7.72
Rot. Bonds7

About 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene

2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 19366440) has the molecular formula C24H27F5O and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
PubChem CID19366440
Molecular FormulaC24H27F5O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC Name2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H27F5O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(25)15-20)10-6-17-7-13-23(22(26)14-17)30-24(27,28)29/h7,11-16,18H,2-6,8-10H2,1H3
InChIKeySJJVINCTDPGIRV-UHFFFAOYSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-[2-[3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 22080309
2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
2-[2-(4-butyl-2-fluorophenyl)ethyl]-5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852612
4-[[4-(4-butylcyclohexyl)phenyl]methyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 139748632
2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383221
2-[2-(4-butyl-2-fluorophenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852941
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
1,3-difluoro-5-[2-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 22373761
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22045467

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene (CID 19366440) is 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is SJJVINCTDPGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5O/c1-2-3-16-4-8-18(9-5-16)20-12-11-19(21(25)15-20)10-6-17-7-13-23(22(26)14-17)30-24(27,28)29/h7,11-16,18H,2-6,8-10H2,1H3.
What are the key properties of 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 426.47 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19366440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).