(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride

C7H10ClF2NS — CID 171313249

IUPAC(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccs1
InChIInChI=1S/C7H9F2NS.ClH/c8-7(9)4-5(10)6-2-1-3-11-6;/h1-3,5,7H,4,10H2;1H/t5-;/m0./s1
InChIKeyODSLGGWEXCKHOR-JEDNCBNOSA-N
MW213.68 g/mol
LogP2.82
Rot. Bonds3

About (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride

(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 171313249) has the molecular formula C7H10ClF2NS and a molecular weight of 213.68 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID171313249
Molecular FormulaC7H10ClF2NS
Molecular Weight213.68 g/mol
Exact Mass213.02
IUPAC Name(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1cccs1
InChIInChI=1S/C7H9F2NS.ClH/c8-7(9)4-5(10)6-2-1-3-11-6;/h1-3,5,7H,4,10H2;1H/t5-;/m0./s1
InChIKeyODSLGGWEXCKHOR-JEDNCBNOSA-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,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
5-amino-3-methyl-5-thiophen-2-ylpentanamide
CID 62933995
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171313205
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride (CID 171313249) is (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1cccs1.
What is the InChIKey of (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is ODSLGGWEXCKHOR-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H9F2NS.ClH/c8-7(9)4-5(10)6-2-1-3-11-6;/h1-3,5,7H,4,10H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-thiophen-2-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-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171313249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).