2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

C13H15F3O — CID 64908369

IUPAC2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCC1C(O)CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-8-11(6-7-12(8)17)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3
InChIKeyQAEHPGUBQMKROU-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.58
Rot. Bonds1

About 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 64908369) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID64908369
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCC1C(O)CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-8-11(6-7-12(8)17)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3
InChIKeyQAEHPGUBQMKROU-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 64908369) is 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is CC1C(O)CCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is QAEHPGUBQMKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-8-11(6-7-12(8)17)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,11-12,17H,6-7H2,1H3.
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 64908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).