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

C6H8ClF2NO — CID 139022364

IUPAC(1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1ccco1)C(F)F
InChIInChI=1S/C6H7F2NO.ClH/c7-6(8)5(9)4-2-1-3-10-4;/h1-3,5-6H,9H2;1H/t5-;/m1./s1
InChIKeyBFAILEZOAJHMRD-NUBCRITNSA-N
MW183.59 g/mol
LogP1.97
Rot. Bonds2

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

(1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride (PubChem CID 139022364) has the molecular formula C6H8ClF2NO and a molecular weight of 183.59 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride
PubChem CID139022364
Molecular FormulaC6H8ClF2NO
Molecular Weight183.59 g/mol
Exact Mass183.03
IUPAC Name(1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](c1ccco1)C(F)F
InChIInChI=1S/C6H7F2NO.ClH/c7-6(8)5(9)4-2-1-3-10-4;/h1-3,5-6H,9H2;1H/t5-;/m1./s1
InChIKeyBFAILEZOAJHMRD-NUBCRITNSA-N
XLogP1.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride (CID 139022364) is (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride is Cl.N[C@H](c1ccco1)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The InChIKey is BFAILEZOAJHMRD-NUBCRITNSA-N. The full InChI is InChI=1S/C6H7F2NO.ClH/c7-6(8)5(9)4-2-1-3-10-4;/h1-3,5-6H,9H2;1H/t5-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(furan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 139022364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).