1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine

C7H8ClF2NS — CID 131025447

IUPAC1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)c1ccsc1Cl
InChIInChI=1S/C7H8ClF2NS/c1-7(9,10)5(11)4-2-3-12-6(4)8/h2-3,5H,11H2,1H3
InChIKeyGNIRNKAJEJNBSI-UHFFFAOYSA-N
MW211.66 g/mol
LogP3.06
Rot. Bonds2

About 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine

1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine (PubChem CID 131025447) has the molecular formula C7H8ClF2NS and a molecular weight of 211.66 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine
PubChem CID131025447
Molecular FormulaC7H8ClF2NS
Molecular Weight211.66 g/mol
Exact Mass211.00
IUPAC Name1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)c1ccsc1Cl
InChIInChI=1S/C7H8ClF2NS/c1-7(9,10)5(11)4-2-3-12-6(4)8/h2-3,5H,11H2,1H3
InChIKeyGNIRNKAJEJNBSI-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine (CID 131025447) is 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine is CC(F)(F)C(N)c1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine?
The InChIKey is GNIRNKAJEJNBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2NS/c1-7(9,10)5(11)4-2-3-12-6(4)8/h2-3,5H,11H2,1H3.
What are the key properties of 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine?
1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine has a molecular weight of 211.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 131025447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).