2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one

C15H19F2NO — CID 122157842

IUPAC2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)C(C)(C)F
InChIInChI=1S/C15H19F2NO/c1-10-8-12(11-4-6-13(16)7-5-11)9-18(10)14(19)15(2,3)17/h4-7,10,12H,8-9H2,1-3H3
InChIKeyAHXULHAOWLUJCK-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.28
Rot. Bonds2

About 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one

2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 122157842) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID122157842
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)C(C)(C)F
InChIInChI=1S/C15H19F2NO/c1-10-8-12(11-4-6-13(16)7-5-11)9-18(10)14(19)15(2,3)17/h4-7,10,12H,8-9H2,1-3H3
InChIKeyAHXULHAOWLUJCK-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 125118087
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119330951
[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
(2S)-2-amino-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 119796817
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934243
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
CID 119136186
ethyl 1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylate
CID 95932127
(2S)-2-amino-1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688053
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120934242

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one (CID 122157842) is 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one is CC1CC(c2ccc(F)cc2)CN1C(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AHXULHAOWLUJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10-8-12(11-4-6-13(16)7-5-11)9-18(10)14(19)15(2,3)17/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one?
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 267.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122157842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).