1-(trifluoromethyl)cyclopent-2-en-1-ol

C6H7F3O — CID 141208332

IUPAC1-(trifluoromethyl)cyclopent-2-en-1-ol
SMILESOC1(C(F)(F)F)C=CCC1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5(10)3-1-2-4-5/h1,3,10H,2,4H2
InChIKeyCTNGBNUAYGHKMT-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.63
Rot. Bonds

About 1-(trifluoromethyl)cyclopent-2-en-1-ol

1-(trifluoromethyl)cyclopent-2-en-1-ol (PubChem CID 141208332) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopent-2-en-1-ol
PubChem CID141208332
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name1-(trifluoromethyl)cyclopent-2-en-1-ol
SMILESOC1(C(F)(F)F)C=CCC1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5(10)3-1-2-4-5/h1,3,10H,2,4H2
InChIKeyCTNGBNUAYGHKMT-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopent-2-en-1-ol?
The IUPAC name of 1-(trifluoromethyl)cyclopent-2-en-1-ol (CID 141208332) is 1-(trifluoromethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1-(trifluoromethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1-(trifluoromethyl)cyclopent-2-en-1-ol is OC1(C(F)(F)F)C=CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopent-2-en-1-ol?
The InChIKey is CTNGBNUAYGHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c7-6(8,9)5(10)3-1-2-4-5/h1,3,10H,2,4H2.
What are the key properties of 1-(trifluoromethyl)cyclopent-2-en-1-ol?
1-(trifluoromethyl)cyclopent-2-en-1-ol has a molecular weight of 152.11 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 141208332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).