1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene

C18H17F5 — CID 132538452

IUPAC1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)CCCCc2ccccc2)cc1
InChIInChI=1S/C18H17F5/c19-17(20,13-5-4-8-14-6-2-1-3-7-14)15-9-11-16(12-10-15)18(21,22)23/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyFQRAQQIILBNOON-UHFFFAOYSA-N
MW328.32 g/mol
LogP6.21
Rot. Bonds6

About 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene

1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene (PubChem CID 132538452) has the molecular formula C18H17F5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene
PubChem CID132538452
Molecular FormulaC18H17F5
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Name1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)CCCCc2ccccc2)cc1
InChIInChI=1S/C18H17F5/c19-17(20,13-5-4-8-14-6-2-1-3-7-14)15-9-11-16(12-10-15)18(21,22)23/h1-3,6-7,9-12H,4-5,8,13H2
InChIKeyFQRAQQIILBNOON-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.32
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
1,5-diphenylpentane-1,1-diol
CID 67670316
4-phenylbutylbenzene
CID 141301927
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
1,1-difluoroheptylbenzene
CID 12070547
27,27-dimethyloctacosylbenzene
CID 140589361

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene (CID 132538452) is 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(F)(F)CCCCc2ccccc2)cc1.
What is the InChIKey of 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene?
The InChIKey is FQRAQQIILBNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5/c19-17(20,13-5-4-8-14-6-2-1-3-7-14)15-9-11-16(12-10-15)18(21,22)23/h1-3,6-7,9-12H,4-5,8,13H2.
What are the key properties of 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene?
1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene has a molecular weight of 328.32 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 132538452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).