(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride

C7H9Cl2F2NO — CID 171313296

IUPAC(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(Cl)o1
InChIInChI=1S/C7H8ClF2NO.ClH/c8-6-2-1-5(12-6)4(11)3-7(9)10;/h1-2,4,7H,3,11H2;1H/t4-;/m0./s1
InChIKeyDTCFLKRFJPYMJO-WCCKRBBISA-N
MW232.06 g/mol
LogP3.01
Rot. Bonds3

About (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride

(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313296) has the molecular formula C7H9Cl2F2NO and a molecular weight of 232.06 g/mol. Its IUPAC name is (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313296
Molecular FormulaC7H9Cl2F2NO
Molecular Weight232.06 g/mol
Exact Mass231.00
IUPAC Name(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@@H](CC(F)F)c1ccc(Cl)o1
InChIInChI=1S/C7H8ClF2NO.ClH/c8-6-2-1-5(12-6)4(11)3-7(9)10;/h1-2,4,7H,3,11H2;1H/t4-;/m0./s1
InChIKeyDTCFLKRFJPYMJO-WCCKRBBISA-N
XLogP3.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
CID 55272415
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
(1R)-3,3-difluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171313434
1-(5-chlorofuran-2-yl)-3-methylbut-3-en-1-amine
CID 106692476
1-(5-chlorofuran-2-yl)propane-1,2-diamine
CID 131059514
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
CID 106692144
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313296) is (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@@H](CC(F)F)c1ccc(Cl)o1.
What is the InChIKey of (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is DTCFLKRFJPYMJO-WCCKRBBISA-N. The full InChI is InChI=1S/C7H8ClF2NO.ClH/c8-6-2-1-5(12-6)4(11)3-7(9)10;/h1-2,4,7H,3,11H2;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride?
(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 232.06 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).