1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene

C23H29F3O — CID 19005512

IUPAC1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene
SMILESCCCCC1CCC(C2C=CC(c3ccc(OC(F)(F)F)cc3)=CC2)CC1
InChIInChI=1S/C23H29F3O/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)27-23(24,25)26/h9,11-19H,2-8,10H2,1H3
InChIKeyRYWJHVIOCUCWQS-UHFFFAOYSA-N
MW378.48 g/mol
LogP7.54
Rot. Bonds6

About 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene

1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene (PubChem CID 19005512) has the molecular formula C23H29F3O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene
PubChem CID19005512
Molecular FormulaC23H29F3O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene
SMILESCCCCC1CCC(C2C=CC(c3ccc(OC(F)(F)F)cc3)=CC2)CC1
InChIInChI=1S/C23H29F3O/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)27-23(24,25)26/h9,11-19H,2-8,10H2,1H3
InChIKeyRYWJHVIOCUCWQS-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005523
1-decoxy-4-[4-(4-octylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005373
1-bromo-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005697
1-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-octylbenzene
CID 19005566
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005327
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005633
1-decyl-2,3-difluoro-4-[4-(4-hexylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005440
1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19103772
2-(4-butylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852159
2,5-bis(4-decylcyclohexyl)cyclohexa-1,3-diene
CID 139627557
5-(4-octylcyclohexyl)-2-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 139627532
5-hexyl-2-[4-[4-(trifluoromethoxy)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 167341455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene (CID 19005512) is 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene is CCCCC1CCC(C2C=CC(c3ccc(OC(F)(F)F)cc3)=CC2)CC1.
What is the InChIKey of 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene?
The InChIKey is RYWJHVIOCUCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3O/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)27-23(24,25)26/h9,11-19H,2-8,10H2,1H3.
What are the key properties of 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene?
1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene has a molecular weight of 378.48 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylcyclohexyl)cyclohexa-1,5-dien-1-yl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 19005512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).