(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride

C6H7ClF3NO — CID 131877952

IUPAC(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO.ClH/c7-6(8,9)5(10)4-2-1-3-11-4;/h1-3,5H,10H2;1H/t5-;/m0./s1
InChIKeyDISUAXNVCVWUGH-JEDNCBNOSA-N
MW201.58 g/mol
LogP2.26
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride

(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride (PubChem CID 131877952) has the molecular formula C6H7ClF3NO and a molecular weight of 201.58 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
PubChem CID131877952
Molecular FormulaC6H7ClF3NO
Molecular Weight201.58 g/mol
Exact Mass201.02
IUPAC Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO.ClH/c7-6(8,9)5(10)4-2-1-3-11-4;/h1-3,5H,10H2;1H/t5-;/m0./s1
InChIKeyDISUAXNVCVWUGH-JEDNCBNOSA-N
XLogP2.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride (CID 131877952) is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride is Cl.N[C@@H](c1ccco1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride?
The InChIKey is DISUAXNVCVWUGH-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H6F3NO.ClH/c7-6(8,9)5(10)4-2-1-3-11-4;/h1-3,5H,10H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride?
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 131877952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).