(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

C12H13F2NO — CID 110749741

IUPAC(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO/c1-8-4-5-15(7-8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyZSAZHUWUYFHETO-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.45
Rot. Bonds1

About (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone

(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 110749741) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID110749741
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO/c1-8-4-5-15(7-8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyZSAZHUWUYFHETO-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82122971
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 97369452
(3,4-difluorophenyl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91910266
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 110749741) is (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is ZSAZHUWUYFHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8-4-5-15(7-8)12(16)9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone?
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 225.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110749741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).