5-fluoro-3,3-dimethylpentan-2-one

C7H13FO — CID 18337746

IUPAC5-fluoro-3,3-dimethylpentan-2-one
SMILESCC(=O)C(C)(C)CCF
InChIInChI=1S/C7H13FO/c1-6(9)7(2,3)4-5-8/h4-5H2,1-3H3
InChIKeyNLAQQJMLKKZMJI-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.96
Rot. Bonds3

About 5-fluoro-3,3-dimethylpentan-2-one

5-fluoro-3,3-dimethylpentan-2-one (PubChem CID 18337746) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethylpentan-2-one.

Molecular Properties

Compound Name5-fluoro-3,3-dimethylpentan-2-one
PubChem CID18337746
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name5-fluoro-3,3-dimethylpentan-2-one
SMILESCC(=O)C(C)(C)CCF
InChIInChI=1S/C7H13FO/c1-6(9)7(2,3)4-5-8/h4-5H2,1-3H3
InChIKeyNLAQQJMLKKZMJI-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-3,3-dimethylpentan-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

CID 11546
CID 11546
CID 140738
CID 140738
CID 74067
CID 74067
CID 76595
CID 76595
CID 140590
CID 140590
CID 11263495
CID 11263495
CID 11819075
CID 11819075
CID 105427789
CID 105427789
CID 11007943
CID 11007943
CID 17797450
CID 17797450
CID 53787976
CID 53787976
CID 57069019
CID 57069019

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethylpentan-2-one?
The IUPAC name of 5-fluoro-3,3-dimethylpentan-2-one (CID 18337746) is 5-fluoro-3,3-dimethylpentan-2-one.
What is the SMILES notation for 5-fluoro-3,3-dimethylpentan-2-one?
The canonical SMILES for 5-fluoro-3,3-dimethylpentan-2-one is CC(=O)C(C)(C)CCF.
What is the InChIKey of 5-fluoro-3,3-dimethylpentan-2-one?
The InChIKey is NLAQQJMLKKZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(9)7(2,3)4-5-8/h4-5H2,1-3H3.
What are the key properties of 5-fluoro-3,3-dimethylpentan-2-one?
5-fluoro-3,3-dimethylpentan-2-one has a molecular weight of 132.18 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethylpentan-2-one is sourced from PubChem (CID 18337746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).