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

C10H10ClFN2 — CID 141332885

IUPAC3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=CC(c2cc(Cl)ccc2F)CN1
InChIInChI=1S/C10H10ClFN2/c11-7-1-2-9(12)8(4-7)6-3-10(13)14-5-6/h1-4,6,14H,5,13H2
InChIKeyCNPNJXULJJMINB-UHFFFAOYSA-N
MW212.66 g/mol
LogP1.97
Rot. Bonds1

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

3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332885) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332885
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=CC(c2cc(Cl)ccc2F)CN1
InChIInChI=1S/C10H10ClFN2/c11-7-1-2-9(12)8(4-7)6-3-10(13)14-5-6/h1-4,6,14H,5,13H2
InChIKeyCNPNJXULJJMINB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine (CID 141332885) is 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine is NC1=CC(c2cc(Cl)ccc2F)CN1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is CNPNJXULJJMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-7-1-2-9(12)8(4-7)6-3-10(13)14-5-6/h1-4,6,14H,5,13H2.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine?
3-(5-chloro-2-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 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).