1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine

C13H12ClF2NS — CID 80206369

IUPAC1-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine
SMILESCC(CC1=CC=C(S1)Cl)(C2=CC(=CC(=C2)F)F)N
InChIInChI=1S/C13H12ClF2NS/c1-13(17,7-11-2-3-12(14)18-11)8-4-9(15)6-10(16)5-8/h2-6H,7,17H2,1H3
InChIKeyPCZZUKRZKIVLGW-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine

1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine (PubChem CID 80206369) has the molecular formula C13H12ClF2NS and a molecular weight of 287.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine
PubChem CID80206369
Molecular FormulaC13H12ClF2NS
Molecular Weight287.76 g/mol
Exact Mass287.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine
SMILESCC(CC1=CC=C(S1)Cl)(C2=CC(=CC(=C2)F)F)N
InChIInChI=1S/C13H12ClF2NS/c1-13(17,7-11-2-3-12(14)18-11)8-4-9(15)6-10(16)5-8/h2-6H,7,17H2,1H3
InChIKeyPCZZUKRZKIVLGW-UHFFFAOYSA-N
XLogP3.80
TPSA54.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity284

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine (CID 80206369) is 1-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine is CC(CC1=CC=C(S1)Cl)(C2=CC(=CC(=C2)F)F)N.
What is the InChIKey of 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine?
The InChIKey is PCZZUKRZKIVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NS/c1-13(17,7-11-2-3-12(14)18-11)8-4-9(15)6-10(16)5-8/h2-6H,7,17H2,1H3.
What are the key properties of 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine?
1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine has a molecular weight of 287.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-Chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-2-amine is sourced from PubChem (CID 80206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).