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

C6H6F3NO — CID 11321154

IUPAC(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine
SMILESN[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2/t5-/m0/s1
InChIKeyLCIXZGVVXOBIGC-YFKPBYRVSA-N
MW165.11 g/mol
LogP1.84
Rot. Bonds1

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

(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine (PubChem CID 11321154) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine
PubChem CID11321154
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine
SMILESN[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2/t5-/m0/s1
InChIKeyLCIXZGVVXOBIGC-YFKPBYRVSA-N
XLogP1.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.84
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?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine (CID 11321154) is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine is N[C@@H](c1ccco1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
The InChIKey is LCIXZGVVXOBIGC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2/t5-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine?
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine has a molecular weight of 165.11 g/mol, XLogP of 1.84, 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 is sourced from PubChem (CID 11321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).