(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine

C6H6ClF2NS — CID 28973347

IUPAC(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine
SMILESN[C@H](c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C6H6ClF2NS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6H,10H2/t5-/m1/s1
InChIKeyGDFHNAKWAZMSPG-RXMQYKEDSA-N
MW197.64 g/mol
LogP2.67
Rot. Bonds2

About (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine

(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine (PubChem CID 28973347) has the molecular formula C6H6ClF2NS and a molecular weight of 197.64 g/mol. Its IUPAC name is (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine
PubChem CID28973347
Molecular FormulaC6H6ClF2NS
Molecular Weight197.64 g/mol
Exact Mass196.99
IUPAC Name(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine
SMILESN[C@H](c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C6H6ClF2NS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6H,10H2/t5-/m1/s1
InChIKeyGDFHNAKWAZMSPG-RXMQYKEDSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-Dichlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 71401263
1-(4-Chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 46227246
1-(5-Chlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 90673409
1-(3,5-Dichlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 90673412
Ethylamine, 1-(5-chloro-2-thenyl)-, hydrochloride
CID 49889
1-(4-Chlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 49893
Ethylamine, 1-(4,5-dichloro-2-thenyl)-, hydrochloride
CID 49897
Ethylamine, 1-(3,5-dichloro-2-thenyl)-, hydrochloride
CID 49899
1-(5-Chlorothiophen-2-yl)propan-2-amine
CID 49890
1-(5-Chlorothiophen-2-yl)propan-1-amine
CID 17249036
(4-Chlorothiophen-2-yl)methanamine
CID 22612083
3-Chloro-2-thiophenemethanamine
CID 22612114

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine?
The IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine (CID 28973347) is (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine is N[C@H](c1ccc(Cl)s1)C(F)F.
What is the InChIKey of (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine?
The InChIKey is GDFHNAKWAZMSPG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6ClF2NS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6H,10H2/t5-/m1/s1.
What are the key properties of (1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine?
(1S)-1-(5-chlorothiophen-2-yl)-2,2-difluoroethanamine has a molecular weight of 197.64 g/mol, XLogP of 2.67, 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)-2,2-difluoroethanamine is sourced from PubChem (CID 28973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).