2-fluoro-3-methyl-1-phenylpentan-1-one

C12H15FO — CID 10965397

IUPAC2-fluoro-3-methyl-1-phenylpentan-1-one
SMILESCCC(C)C(F)C(=O)c1ccccc1
InChIInChI=1S/C12H15FO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyZXBUAQSKMUQAMD-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.25
Rot. Bonds4

About 2-fluoro-3-methyl-1-phenylpentan-1-one

2-fluoro-3-methyl-1-phenylpentan-1-one (PubChem CID 10965397) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-3-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name2-fluoro-3-methyl-1-phenylpentan-1-one
PubChem CID10965397
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-fluoro-3-methyl-1-phenylpentan-1-one
SMILESCCC(C)C(F)C(=O)c1ccccc1
InChIInChI=1S/C12H15FO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
InChIKeyZXBUAQSKMUQAMD-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
(3-fluoro-2-methylpentyl) benzoate
CID 90717890
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-one
CID 43799153

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-1-phenylpentan-1-one?
The IUPAC name of 2-fluoro-3-methyl-1-phenylpentan-1-one (CID 10965397) is 2-fluoro-3-methyl-1-phenylpentan-1-one.
What is the SMILES notation for 2-fluoro-3-methyl-1-phenylpentan-1-one?
The canonical SMILES for 2-fluoro-3-methyl-1-phenylpentan-1-one is CCC(C)C(F)C(=O)c1ccccc1.
What is the InChIKey of 2-fluoro-3-methyl-1-phenylpentan-1-one?
The InChIKey is ZXBUAQSKMUQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-9(2)11(13)12(14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-1-phenylpentan-1-one?
2-fluoro-3-methyl-1-phenylpentan-1-one has a molecular weight of 194.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 10965397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).