2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone

C7H9F3O2 — CID 131453822

IUPAC2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(C(F)(F)F)C1(O)CCCC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)5(11)6(12)3-1-2-4-6/h12H,1-4H2
InChIKeyHMWBCWMPSBUNHA-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.42
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone

2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone (PubChem CID 131453822) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone
PubChem CID131453822
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(C(F)(F)F)C1(O)CCCC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)5(11)6(12)3-1-2-4-6/h12H,1-4H2
InChIKeyHMWBCWMPSBUNHA-UHFFFAOYSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone (CID 131453822) is 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone is O=C(C(F)(F)F)C1(O)CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone?
The InChIKey is HMWBCWMPSBUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)5(11)6(12)3-1-2-4-6/h12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone?
2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone has a molecular weight of 182.14 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 131453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).