1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine

C11H12ClF2NO — CID 117007621

IUPAC1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
SMILESCOc1ccc(Cl)cc1N1CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2NO/c1-16-10-3-2-8(12)6-9(10)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyQMLJGOGIRIQDLY-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine

1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine (PubChem CID 117007621) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
PubChem CID117007621
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
SMILESCOc1ccc(Cl)cc1N1CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2NO/c1-16-10-3-2-8(12)6-9(10)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyQMLJGOGIRIQDLY-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,4-diazepane
CID 117023774
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
1-(2,3-difluoro-6-methoxyphenyl)-4,4-difluoropiperidine
CID 177192883
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
CID 177193342
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
(1S,2S,6R,7R)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 1309360
(1S,2R,6S,7S)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98093300

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine (CID 117007621) is 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine is COc1ccc(Cl)cc1N1CCC(F)(F)C1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine?
The InChIKey is QMLJGOGIRIQDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-16-10-3-2-8(12)6-9(10)15-5-4-11(13,14)7-15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine?
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine has a molecular weight of 247.67 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 117007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).