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

C22H29F3 — CID 126551449

IUPAC1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H29F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h10,12-18H,2-9,11H2,1H3
InChIKeyITRLAFDPRWOXOC-UHFFFAOYSA-N
MW350.47 g/mol
LogP7.50
Rot. Bonds4

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

1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene (PubChem CID 126551449) has the molecular formula C22H29F3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
PubChem CID126551449
Molecular FormulaC22H29F3
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H29F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h10,12-18H,2-9,11H2,1H3
InChIKeyITRLAFDPRWOXOC-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
lithium;1-bromo-4-(trifluoromethyl)benzene;butane;4-(4-propylcyclohexyl)cyclohexan-1-one;1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene;4-(4-propylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 159188423
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201
5-hexyl-2-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 167341454
N-ethyl-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)pyridin-2-amine
CID 100994058
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
1-bromo-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]benzene
CID 141297711
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene (CID 126551449) is 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene is CCCC1CCC(C2CC=C(c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
The InChIKey is ITRLAFDPRWOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h10,12-18H,2-9,11H2,1H3.
What are the key properties of 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene?
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene has a molecular weight of 350.47 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 126551449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).