2-fluoro-1-phenylhexan-1-one

C12H15FO — CID 165359070

IUPAC2-fluoro-1-phenylhexan-1-one
SMILESCCCCC(F)C(=O)c1ccccc1
InChIInChI=1S/C12H15FO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeySXHAVZLSOYVFCK-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.40
Rot. Bonds5

About 2-fluoro-1-phenylhexan-1-one

2-fluoro-1-phenylhexan-1-one (PubChem CID 165359070) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-fluoro-1-phenylhexan-1-one
PubChem CID165359070
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-fluoro-1-phenylhexan-1-one
SMILESCCCCC(F)C(=O)c1ccccc1
InChIInChI=1S/C12H15FO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeySXHAVZLSOYVFCK-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-1-phenylhexan-1-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

(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
2-pentyl-1-phenylheptan-1-one
CID 67882345
2-fluoro-3-hydroxy-1-phenylpropan-1-one
CID 45080752
2-(2-chloroethyl)-1-phenylhexan-1-one
CID 154318606
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
2-[tert-butyl(dimethyl)silyl]-1-phenylhexan-1-one
CID 101122163
3-fluoro-1-phenyloctan-2-one
CID 14645308
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
3-chloro-1-phenylheptan-1-one
CID 11775823
benzoic acid;decan-5-ol
CID 71345643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenylhexan-1-one?
The IUPAC name of 2-fluoro-1-phenylhexan-1-one (CID 165359070) is 2-fluoro-1-phenylhexan-1-one.
What is the SMILES notation for 2-fluoro-1-phenylhexan-1-one?
The canonical SMILES for 2-fluoro-1-phenylhexan-1-one is CCCCC(F)C(=O)c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenylhexan-1-one?
The InChIKey is SXHAVZLSOYVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 2-fluoro-1-phenylhexan-1-one?
2-fluoro-1-phenylhexan-1-one has a molecular weight of 194.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenylhexan-1-one is sourced from PubChem (CID 165359070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).