(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine

C10H10ClFN2 — CID 141332878

IUPAC(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@@H](c2cc(F)cc(Cl)c2)CN1
InChIInChI=1S/C10H10ClFN2/c11-8-1-6(2-9(12)4-8)7-3-10(13)14-5-7/h1-4,7,14H,5,13H2/t7-/m1/s1
InChIKeyHNAVZZYRWMHTIO-SSDOTTSWSA-N
MW212.66 g/mol
LogP1.97
Rot. Bonds1

About (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332878) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332878
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@@H](c2cc(F)cc(Cl)c2)CN1
InChIInChI=1S/C10H10ClFN2/c11-8-1-6(2-9(12)4-8)7-3-10(13)14-5-7/h1-4,7,14H,5,13H2/t7-/m1/s1
InChIKeyHNAVZZYRWMHTIO-SSDOTTSWSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541195
3-(3-chlorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541288
3-(3-Chlorophenyl)pyrrolidine
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3-(3-Chlorophenyl)pyrrolidine hydrochloride
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3-(3-Chlorophenyl)-3-fluoropyrrolidine hydrochloride
CID 91654603
N-[2-(3-chloro-2-fluorophenyl)ethyl]propan-1-amine
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4-(3-Chloro-2-fluoro-benzyl)-1,3-dihydro-imidazole-2-thione
CID 11637318
4-(3-Chloro-5-fluorophenyl)piperidine
CID 16679319
4-(3-Chloro-4-fluorophenyl)piperidine
CID 16679320
4-(3-Chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-2-amine
CID 22038206
4-(5-Chloro-2-fluorophenyl)piperidine
CID 24904349
3-(3,5-Dichlorophenyl)-3-fluoropyrrolidine
CID 25143664

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine (CID 141332878) is (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine is NC1=C[C@@H](c2cc(F)cc(Cl)c2)CN1.
What is the InChIKey of (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is HNAVZZYRWMHTIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-8-1-6(2-9(12)4-8)7-3-10(13)14-5-7/h1-4,7,14H,5,13H2/t7-/m1/s1.
What are the key properties of (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 212.66 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).