1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine

C13H12Cl2FNS — CID 55143795

IUPAC1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)s1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H12Cl2FNS/c14-12-6-9(16)2-1-8(12)5-10(17)7-11-3-4-13(15)18-11/h1-4,6,10H,5,7,17H2
InChIKeyKNFKDRMVXSXGIO-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine

1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 55143795) has the molecular formula C13H12Cl2FNS and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID55143795
Molecular FormulaC13H12Cl2FNS
Molecular Weight304.22 g/mol
Exact Mass303.01
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)s1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H12Cl2FNS/c14-12-6-9(16)2-1-8(12)5-10(17)7-11-3-4-13(15)18-11/h1-4,6,10H,5,7,17H2
InChIKeyKNFKDRMVXSXGIO-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine (CID 55143795) is 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine is NC(Cc1ccc(Cl)s1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is KNFKDRMVXSXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNS/c14-12-6-9(16)2-1-8(12)5-10(17)7-11-3-4-13(15)18-11/h1-4,6,10H,5,7,17H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 304.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 55143795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).