2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine

C11H12ClF2N — CID 117335365

IUPAC2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2cc(F)cc(F)c2Cl)CCCN1
InChIInChI=1S/C11H12ClF2N/c1-11(3-2-4-15-11)8-5-7(13)6-9(14)10(8)12/h5-6,15H,2-4H2,1H3
InChIKeyAKJKRCLPMSZWQO-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.22
Rot. Bonds1

About 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine

2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine (PubChem CID 117335365) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
PubChem CID117335365
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2cc(F)cc(F)c2Cl)CCCN1
InChIInChI=1S/C11H12ClF2N/c1-11(3-2-4-15-11)8-5-7(13)6-9(14)10(8)12/h5-6,15H,2-4H2,1H3
InChIKeyAKJKRCLPMSZWQO-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

Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
(1-(2-Chlorophenyl)ethyl)(methyl)amine
CID 16783514
2-(4-Chlorophenyl)pyrrolidine
CID 592391
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789
Benzenemethanamine, 4-chloro-N-ethyl-3-(trifluoromethyl)-
CID 485442
Benzenemethanamine, 4-chloro-N-propyl-3-(trifluoromethyl)-
CID 485443
2-(3-Chlorophenyl)pyrrolidine
CID 4579806
2-(2-Chlorophenyl)pyrrolidine
CID 3719582
Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
CID 457618
Benzenemethanamine, 3-chloro-5-fluoro-N-propyl-
CID 457619
Benzenemethanamine, N-butyl-3-chloro-5-fluoro-
CID 457620
Benzenemethanamine, N-butyl-4-chloro-3-(trifluoromethyl)-
CID 485444

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine (CID 117335365) is 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine is CC1(c2cc(F)cc(F)c2Cl)CCCN1.
What is the InChIKey of 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine?
The InChIKey is AKJKRCLPMSZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-11(3-2-4-15-11)8-5-7(13)6-9(14)10(8)12/h5-6,15H,2-4H2,1H3.
What are the key properties of 2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine?
2-(2-chloro-3,5-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-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117335365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).