2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol

C13H15F3O — CID 79862225

IUPAC2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3O/c1-12(2)6-3-7-13(12,17)8-4-5-9(14)11(16)10(8)15/h4-5,17H,3,6-7H2,1-2H3
InChIKeyRKBROBAYWOWWDR-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.50
Rot. Bonds1

About 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol

2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol (PubChem CID 79862225) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol
PubChem CID79862225
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H15F3O/c1-12(2)6-3-7-13(12,17)8-4-5-9(14)11(16)10(8)15/h4-5,17H,3,6-7H2,1-2H3
InChIKeyRKBROBAYWOWWDR-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol (CID 79862225) is 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol is CC1(C)CCCC1(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol?
The InChIKey is RKBROBAYWOWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-12(2)6-3-7-13(12,17)8-4-5-9(14)11(16)10(8)15/h4-5,17H,3,6-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol?
2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 79862225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).