(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

C7H7ClF3NS — CID 28895734

IUPAC(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2/t4-/m0/s1
InChIKeyYUSGGKLHQIPTPR-BYPYZUCNSA-N
MW229.65 g/mol
LogP3.35
Rot. Bonds2

About (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine

(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 28895734) has the molecular formula C7H7ClF3NS and a molecular weight of 229.65 g/mol. Its IUPAC name is (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID28895734
Molecular FormulaC7H7ClF3NS
Molecular Weight229.65 g/mol
Exact Mass228.99
IUPAC Name(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2/t4-/m0/s1
InChIKeyYUSGGKLHQIPTPR-BYPYZUCNSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine (CID 28895734) is (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is N[C@@H](CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is YUSGGKLHQIPTPR-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7ClF3NS/c8-6-2-1-5(13-6)4(12)3-7(9,10)11/h1-2,4H,3,12H2/t4-/m0/s1.
What are the key properties of (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
(1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 229.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 28895734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).