(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride

C7H10ClF2NS — CID 171313205

IUPAC(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccsc1
InChIInChI=1S/C7H9F2NS.ClH/c8-7(9)3-6(10)5-1-2-11-4-5;/h1-2,4,6-7H,3,10H2;1H/t6-;/m0./s1
InChIKeyUGMHHJKMCYLROE-RGMNGODLSA-N
MW213.68 g/mol
LogP2.82
Rot. Bonds3

About (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride

(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride (PubChem CID 171313205) has the molecular formula C7H10ClF2NS and a molecular weight of 213.68 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
PubChem CID171313205
Molecular FormulaC7H10ClF2NS
Molecular Weight213.68 g/mol
Exact Mass213.02
IUPAC Name(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccsc1
InChIInChI=1S/C7H9F2NS.ClH/c8-7(9)3-6(10)5-1-2-11-4-5;/h1-2,4,6-7H,3,10H2;1H/t6-;/m0./s1
InChIKeyUGMHHJKMCYLROE-RGMNGODLSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
1-thiophen-3-ylhexan-1-amine;hydrochloride
CID 86262846
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride
CID 171313249
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride (CID 171313205) is (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1ccsc1.
What is the InChIKey of (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride?
The InChIKey is UGMHHJKMCYLROE-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9F2NS.ClH/c8-7(9)3-6(10)5-1-2-11-4-5;/h1-2,4,6-7H,3,10H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride has a molecular weight of 213.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171313205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).