4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine

C10H6ClF2NS — CID 168960336

IUPAC4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine
SMILESNc1cc(-c2ccc(Cl)c(F)c2)c(F)s1
InChIInChI=1S/C10H6ClF2NS/c11-7-2-1-5(3-8(7)12)6-4-9(14)15-10(6)13/h1-4H,14H2
InChIKeyLOBJKEHMLYSJFF-UHFFFAOYSA-N
MW245.68 g/mol
LogP3.93
Rot. Bonds1

About 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine

4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine (PubChem CID 168960336) has the molecular formula C10H6ClF2NS and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine
PubChem CID168960336
Molecular FormulaC10H6ClF2NS
Molecular Weight245.68 g/mol
Exact Mass244.99
IUPAC Name4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine
SMILESNc1cc(-c2ccc(Cl)c(F)c2)c(F)s1
InChIInChI=1S/C10H6ClF2NS/c11-7-2-1-5(3-8(7)12)6-4-9(14)15-10(6)13/h1-4H,14H2
InChIKeyLOBJKEHMLYSJFF-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine (CID 168960336) is 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine is Nc1cc(-c2ccc(Cl)c(F)c2)c(F)s1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine?
The InChIKey is LOBJKEHMLYSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NS/c11-7-2-1-5(3-8(7)12)6-4-9(14)15-10(6)13/h1-4H,14H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine?
4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine has a molecular weight of 245.68 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-5-fluorothiophen-2-amine is sourced from PubChem (CID 168960336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).