(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine

C11H13F2N — CID 66518496

IUPAC(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c([C@H]2CCCN2)c1F
InChIInChI=1S/C11H13F2N/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyOGHWBSLUTFWOLH-SECBINFHSA-N
MW197.23 g/mol
LogP2.70
Rot. Bonds1

About (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine (PubChem CID 66518496) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
PubChem CID66518496
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c([C@H]2CCCN2)c1F
InChIInChI=1S/C11H13F2N/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyOGHWBSLUTFWOLH-SECBINFHSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine (CID 66518496) is (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine is Cc1ccc(F)c([C@H]2CCCN2)c1F.
What is the InChIKey of (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine?
The InChIKey is OGHWBSLUTFWOLH-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-4-5-8(12)10(11(7)13)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine?
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 66518496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).