(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride

C6H7ClF2N2O2S — CID 171251968

IUPAC(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc([N+](=O)[O-])s1)C(F)F
InChIInChI=1S/C6H6F2N2O2S.ClH/c7-6(8)5(9)3-1-2-4(13-3)10(11)12;/h1-2,5-6H,9H2;1H/t5-;/m0./s1
InChIKeyHKPFSKUKZYUSET-JEDNCBNOSA-N
MW244.65 g/mol
LogP2.34
Rot. Bonds3

About (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride

(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride (PubChem CID 171251968) has the molecular formula C6H7ClF2N2O2S and a molecular weight of 244.65 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
PubChem CID171251968
Molecular FormulaC6H7ClF2N2O2S
Molecular Weight244.65 g/mol
Exact Mass243.99
IUPAC Name(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc([N+](=O)[O-])s1)C(F)F
InChIInChI=1S/C6H6F2N2O2S.ClH/c7-6(8)5(9)3-1-2-4(13-3)10(11)12;/h1-2,5-6H,9H2;1H/t5-;/m0./s1
InChIKeyHKPFSKUKZYUSET-JEDNCBNOSA-N
XLogP2.34
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
CID 171216766
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
(1S)-3,3,3-trifluoro-1-(5-nitrothiophen-2-yl)propan-1-amine
CID 171236380
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
2-(1-chloroethyl)-5-nitrothiophene
CID 12583139
(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
CID 131624660
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171284440
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine
CID 171284439
2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
2-(5-nitrothiophen-2-yl)-2-pyrrolidin-1-ylethanethioamide
CID 84749217

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride (CID 171251968) is (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride is Cl.N[C@@H](c1ccc([N+](=O)[O-])s1)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride?
The InChIKey is HKPFSKUKZYUSET-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H6F2N2O2S.ClH/c7-6(8)5(9)3-1-2-4(13-3)10(11)12;/h1-2,5-6H,9H2;1H/t5-;/m0./s1.
What are the key properties of (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride has a molecular weight of 244.65 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171251968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).