3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol

C15H19F3O — CID 158449287

IUPAC3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O/c1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12/h6-9,12,19H,2-5,10H2,1H3
InChIKeyCZGHXFJVNDGNDC-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.33
Rot. Bonds3

About 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol

3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol (PubChem CID 158449287) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
PubChem CID158449287
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O/c1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12/h6-9,12,19H,2-5,10H2,1H3
InChIKeyCZGHXFJVNDGNDC-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol?
The IUPAC name of 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol (CID 158449287) is 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol is Cc1ccc(C(O)(CC2CCCC2)C(F)(F)F)cc1.
What is the InChIKey of 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol?
The InChIKey is CZGHXFJVNDGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-11-6-8-13(9-7-11)14(19,15(16,17)18)10-12-4-2-3-5-12/h6-9,12,19H,2-5,10H2,1H3.
What are the key properties of 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol?
3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol has a molecular weight of 272.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,1,1-trifluoro-2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 158449287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).