5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one

C7H11F3O2 — CID 103343915

IUPAC5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(12)6(2-3-11)4-7(8,9)10/h6,11H,2-4H2,1H3
InChIKeyCZYCQLHHQQVQQG-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.53
Rot. Bonds4

About 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one

5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one (PubChem CID 103343915) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
PubChem CID103343915
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-5(12)6(2-3-11)4-7(8,9)10/h6,11H,2-4H2,1H3
InChIKeyCZYCQLHHQQVQQG-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847
3-(2-hydroxyethyl)pentane-2,4-dione;iron
CID 174902322
3-(2-hydroxyethyl)hept-6-yn-2-one
CID 103343922
3-(2-hydroxyethyl)oct-7-en-2-one
CID 103343971
3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
CID 106454401
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
CID 103343956
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one (CID 103343915) is 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one is CC(=O)C(CCO)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one?
The InChIKey is CZYCQLHHQQVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5(12)6(2-3-11)4-7(8,9)10/h6,11H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one?
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one has a molecular weight of 184.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one is sourced from PubChem (CID 103343915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).