2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene

C25H29F3O — CID 54294379

IUPAC2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene
SMILESC=C(CCC)CC1CCC(c2cc(OC(F)(F)F)ccc2-c2ccccc2)CC1
InChIInChI=1S/C25H29F3O/c1-3-7-18(2)16-19-10-12-21(13-11-19)24-17-22(29-25(26,27)28)14-15-23(24)20-8-5-4-6-9-20/h4-6,8-9,14-15,17,19,21H,2-3,7,10-13,16H2,1H3
InChIKeyRZTRBNZMDFOIDG-UHFFFAOYSA-N
MW402.50 g/mol
LogP8.27
Rot. Bonds7

About 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene

2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene (PubChem CID 54294379) has the molecular formula C25H29F3O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene
PubChem CID54294379
Molecular FormulaC25H29F3O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene
SMILESC=C(CCC)CC1CCC(c2cc(OC(F)(F)F)ccc2-c2ccccc2)CC1
InChIInChI=1S/C25H29F3O/c1-3-7-18(2)16-19-10-12-21(13-11-19)24-17-22(29-25(26,27)28)14-15-23(24)20-8-5-4-6-9-20/h4-6,8-9,14-15,17,19,21H,2-3,7,10-13,16H2,1H3
InChIKeyRZTRBNZMDFOIDG-UHFFFAOYSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hexylcyclohexyl)-1-phenyl-4-(trifluoromethoxy)benzene
CID 159707062
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
4-[4-(methoxymethyl)cyclohexyl]-2-(4-pentylcyclohexyl)-1-phenylbenzene
CID 70262334
2-bromo-1-phenyl-4-(trifluoromethoxy)benzene
CID 74892048
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
CID 56626667
1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 22131655
2-(4-pentylcyclohexyl)-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948914
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene
CID 145172655
2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291
1-[4-[4-methyl-5-(trifluoromethoxy)heptyl]cyclohexyl]-2-phenylbenzene
CID 139813157

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene (CID 54294379) is 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene is C=C(CCC)CC1CCC(c2cc(OC(F)(F)F)ccc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene?
The InChIKey is RZTRBNZMDFOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3O/c1-3-7-18(2)16-19-10-12-21(13-11-19)24-17-22(29-25(26,27)28)14-15-23(24)20-8-5-4-6-9-20/h4-6,8-9,14-15,17,19,21H,2-3,7,10-13,16H2,1H3.
What are the key properties of 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene?
2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene has a molecular weight of 402.50 g/mol, XLogP of 8.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylidenepentyl)cyclohexyl]-1-phenyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 54294379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).