(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine

C10H11ClFN — CID 96760582

IUPAC(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1ccc(Cl)c([C@H]2CCNC2)c1
InChIInChI=1S/C10H11ClFN/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2/t7-/m0/s1
InChIKeyLHJFNOHGWGXBIV-ZETCQYMHSA-N
MW199.66 g/mol
LogP2.56
Rot. Bonds1

About (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine

(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine (PubChem CID 96760582) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
PubChem CID96760582
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1ccc(Cl)c([C@H]2CCNC2)c1
InChIInChI=1S/C10H11ClFN/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2/t7-/m0/s1
InChIKeyLHJFNOHGWGXBIV-ZETCQYMHSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
CID 117283556
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
CID 171510254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine?
The IUPAC name of (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine (CID 96760582) is (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine?
The canonical SMILES for (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine is Fc1ccc(Cl)c([C@H]2CCNC2)c1.
What is the InChIKey of (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine?
The InChIKey is LHJFNOHGWGXBIV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2/t7-/m0/s1.
What are the key properties of (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine?
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 96760582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).