2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene

C22H28F4 — CID 139779236

IUPAC2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3F)CC2)CC1
InChIInChI=1S/C22H28F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(14-21(20)23)22(24,25)26/h10,12-17H,2-9,11H2,1H3
InChIKeyJTQOGBNALGBRAB-UHFFFAOYSA-N
MW368.46 g/mol
LogP7.63
Rot. Bonds4

About 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene

2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene (PubChem CID 139779236) has the molecular formula C22H28F4 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
PubChem CID139779236
Molecular FormulaC22H28F4
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC Name2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3F)CC2)CC1
InChIInChI=1S/C22H28F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(14-21(20)23)22(24,25)26/h10,12-17H,2-9,11H2,1H3
InChIKeyJTQOGBNALGBRAB-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-methoxybenzene
CID 67739436
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 22465782
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67739466
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
[6-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]-2,3-difluorophenyl] trifluoromethanesulfonate
CID 168864035
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene (CID 139779236) is 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene is CCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3F)CC2)CC1.
What is the InChIKey of 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The InChIKey is JTQOGBNALGBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(14-21(20)23)22(24,25)26/h10,12-17H,2-9,11H2,1H3.
What are the key properties of 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene has a molecular weight of 368.46 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 139779236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).