2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine

C7H9ClFNS — CID 107361345

IUPAC2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)c1sccc1Cl
InChIInChI=1S/C7H9ClFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3
InChIKeyOQOUPNABAWLHGY-UHFFFAOYSA-N
MW193.67 g/mol
LogP2.54
Rot. Bonds2

About 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine

2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine (PubChem CID 107361345) has the molecular formula C7H9ClFNS and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine
PubChem CID107361345
Molecular FormulaC7H9ClFNS
Molecular Weight193.67 g/mol
Exact Mass193.01
IUPAC Name2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)c1sccc1Cl
InChIInChI=1S/C7H9ClFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3
InChIKeyOQOUPNABAWLHGY-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine (CID 107361345) is 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine is CC(F)(CN)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine?
The InChIKey is OQOUPNABAWLHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFNS/c1-7(9,4-10)6-5(8)2-3-11-6/h2-3H,4,10H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine?
2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine has a molecular weight of 193.67 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 107361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).