2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine

C11H12ClF2N — CID 117335369

IUPAC2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2c(F)ccc(Cl)c2F)CCCN1
InChIInChI=1S/C11H12ClF2N/c1-11(5-2-6-15-11)9-8(13)4-3-7(12)10(9)14/h3-4,15H,2,5-6H2,1H3
InChIKeyGMHQONBLUGTETF-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.22
Rot. Bonds1

About 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine

2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine (PubChem CID 117335369) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
PubChem CID117335369
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2c(F)ccc(Cl)c2F)CCCN1
InChIInChI=1S/C11H12ClF2N/c1-11(5-2-6-15-11)9-8(13)4-3-7(12)10(9)14/h3-4,15H,2,5-6H2,1H3
InChIKeyGMHQONBLUGTETF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
2-(4,6-difluoro-1-benzofuran-5-yl)-2-methylpyrrolidine
CID 117346297
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
CID 114489584
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine (CID 117335369) is 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine is CC1(c2c(F)ccc(Cl)c2F)CCCN1.
What is the InChIKey of 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine?
The InChIKey is GMHQONBLUGTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-11(5-2-6-15-11)9-8(13)4-3-7(12)10(9)14/h3-4,15H,2,5-6H2,1H3.
What are the key properties of 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine?
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine has a molecular weight of 231.67 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117335369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).