2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine

C12H15ClFN — CID 114489584

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2cccc(Cl)c2F)CCCN1
InChIInChI=1S/C12H15ClFN/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3
InChIKeyHFXFBNXFVLKDCS-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.16
Rot. Bonds2

About 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine

2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 114489584) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
PubChem CID114489584
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2cccc(Cl)c2F)CCCN1
InChIInChI=1S/C12H15ClFN/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3
InChIKeyHFXFBNXFVLKDCS-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
2-[(2-chlorophenyl)methyl]-2-methylazepane
CID 79119375
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylazepane
CID 79118175
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine (CID 114489584) is 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine is CC1(Cc2cccc(Cl)c2F)CCCN1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is HFXFBNXFVLKDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine?
2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 114489584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).