(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene

C23H35F3 — CID 126551924

IUPAC(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene
SMILESC=CCCC1CCC([C@H]2CC=C(C3CCC(C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C23H35F3/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24,25)26/h2,11,17-19,21-22H,1,3-10,12-16H2/t17?,18?,19-,21?,22?/m0/s1
InChIKeyIFSWMAWGCGNCGM-XLDCJCGGSA-N
MW368.53 g/mol
LogP7.85
Rot. Bonds5

About (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene

(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene (PubChem CID 126551924) has the molecular formula C23H35F3 and a molecular weight of 368.53 g/mol. Its IUPAC name is (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene.

Molecular Properties

Compound Name(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene
PubChem CID126551924
Molecular FormulaC23H35F3
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene
SMILESC=CCCC1CCC([C@H]2CC=C(C3CCC(C(F)(F)F)CC3)CC2)CC1
InChIInChI=1S/C23H35F3/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24,25)26/h2,11,17-19,21-22H,1,3-10,12-16H2/t17?,18?,19-,21?,22?/m0/s1
InChIKeyIFSWMAWGCGNCGM-XLDCJCGGSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[difluoro-[4-[4-(4-propylcyclohexyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene
CID 122578044
4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2,3-difluorophenol
CID 89203747
2-[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)cyclohexan-1-ol
CID 171812501
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
CID 21464605
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 135214899
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59246862
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]-3-chloro-4-ethyl-2-fluorobenzene
CID 59257319
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene?
The IUPAC name of (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene (CID 126551924) is (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene.
What is the SMILES notation for (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene?
The canonical SMILES for (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene is C=CCCC1CCC([C@H]2CC=C(C3CCC(C(F)(F)F)CC3)CC2)CC1.
What is the InChIKey of (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene?
The InChIKey is IFSWMAWGCGNCGM-XLDCJCGGSA-N. The full InChI is InChI=1S/C23H35F3/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24,25)26/h2,11,17-19,21-22H,1,3-10,12-16H2/t17?,18?,19-,21?,22?/m0/s1.
What are the key properties of (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene?
(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene has a molecular weight of 368.53 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene is sourced from PubChem (CID 126551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).