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

C12H14F2N2O — CID 103576062

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC1N
InChIInChI=1S/C12H14F2N2O/c1-7-5-16(6-11(7)15)12(17)8-2-3-9(13)10(14)4-8/h2-4,7,11H,5-6,15H2,1H3
InChIKeyXNXYZCFTEGHTIZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.38
Rot. Bonds1

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

(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone (PubChem CID 103576062) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
PubChem CID103576062
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC1N
InChIInChI=1S/C12H14F2N2O/c1-7-5-16(6-11(7)15)12(17)8-2-3-9(13)10(14)4-8/h2-4,7,11H,5-6,15H2,1H3
InChIKeyXNXYZCFTEGHTIZ-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 103576119
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82879192
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
1-(4-chloro-3-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 106703612
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluoro-3-sulfanylphenyl)methanone
CID 107036472
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone (CID 103576062) is (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone is CC1CN(C(=O)c2ccc(F)c(F)c2)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone?
The InChIKey is XNXYZCFTEGHTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-5-16(6-11(7)15)12(17)8-2-3-9(13)10(14)4-8/h2-4,7,11H,5-6,15H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone has a molecular weight of 240.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 103576062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).