3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one

C15H18F3NO — CID 124890583

IUPAC3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
SMILESCC(F)(F)CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18F3NO/c1-15(17,18)10-14(20)19-9-3-2-4-13(19)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyWTCZFVKQBOCBRG-CYBMUJFWSA-N
MW285.31 g/mol
LogP3.92
Rot. Bonds3

About 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one

3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one (PubChem CID 124890583) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
PubChem CID124890583
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
SMILESCC(F)(F)CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18F3NO/c1-15(17,18)10-14(20)19-9-3-2-4-13(19)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyWTCZFVKQBOCBRG-CYBMUJFWSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 125120184
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95729352
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952236
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one (CID 124890583) is 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one is CC(F)(F)CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
The InChIKey is WTCZFVKQBOCBRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-15(17,18)10-14(20)19-9-3-2-4-13(19)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one?
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one has a molecular weight of 285.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 124890583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).