(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine

C10H12ClFN2 — CID 141155244

IUPAC(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(N[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C10H12ClFN2/c11-9-5-7(1-2-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m0/s1
InChIKeyRPEMMIIOEWJVDK-QMMMGPOBSA-N
MW214.67 g/mol
LogP2.25
Rot. Bonds2

About (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine

(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 141155244) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine
PubChem CID141155244
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(N[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C10H12ClFN2/c11-9-5-7(1-2-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m0/s1
InChIKeyRPEMMIIOEWJVDK-QMMMGPOBSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine (CID 141155244) is (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine is Fc1ccc(N[C@H]2CCNC2)cc1Cl.
What is the InChIKey of (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is RPEMMIIOEWJVDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-9-5-7(1-2-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine?
(3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 214.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 141155244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).