2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine

C11H12ClF2N — CID 84695145

IUPAC2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
SMILESFC(F)c1c(Cl)cccc1C1CCCN1
InChIInChI=1S/C11H12ClF2N/c12-8-4-1-3-7(10(8)11(13)14)9-5-2-6-15-9/h1,3-4,9,11,15H,2,5-6H2
InChIKeyPKYWWVDJDYAKLF-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.70
Rot. Bonds2

About 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine

2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine (PubChem CID 84695145) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
PubChem CID84695145
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
SMILESFC(F)c1c(Cl)cccc1C1CCCN1
InChIInChI=1S/C11H12ClF2N/c12-8-4-1-3-7(10(8)11(13)14)9-5-2-6-15-9/h1,3-4,9,11,15H,2,5-6H2
InChIKeyPKYWWVDJDYAKLF-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
5-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117441288
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
CID 117330926
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
2-[2-chloro-5-(difluoromethyl)phenyl]piperidine
CID 84705366
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
2-chloro-3-piperidin-2-ylphenol
CID 130000735

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine (CID 84695145) is 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine is FC(F)c1c(Cl)cccc1C1CCCN1.
What is the InChIKey of 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine?
The InChIKey is PKYWWVDJDYAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-8-4-1-3-7(10(8)11(13)14)9-5-2-6-15-9/h1,3-4,9,11,15H,2,5-6H2.
What are the key properties of 2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine?
2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine has a molecular weight of 231.67 g/mol, XLogP of 3.70, 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-(difluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 84695145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).