[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol

C7H8F3NO2 — CID 130913224

IUPAC[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
SMILESN[C@@H](c1ccc(CO)o1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(11)5-2-1-4(3-12)13-5/h1-2,6,12H,3,11H2/t6-/m0/s1
InChIKeyZMKZAAXIMVBQSL-LURJTMIESA-N
MW195.14 g/mol
LogP1.33
Rot. Bonds2

About [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol

[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol (PubChem CID 130913224) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
PubChem CID130913224
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
SMILESN[C@@H](c1ccc(CO)o1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(11)5-2-1-4(3-12)13-5/h1-2,6,12H,3,11H2/t6-/m0/s1
InChIKeyZMKZAAXIMVBQSL-LURJTMIESA-N
XLogP1.33
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
2,2,2-trifluoro-1-[5-(trifluoromethyl)furan-2-yl]ethanamine
CID 130022232
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244164
(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250896
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol (CID 130913224) is [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol is N[C@@H](c1ccc(CO)o1)C(F)(F)F.
What is the InChIKey of [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol?
The InChIKey is ZMKZAAXIMVBQSL-LURJTMIESA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)6(11)5-2-1-4(3-12)13-5/h1-2,6,12H,3,11H2/t6-/m0/s1.
What are the key properties of [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol?
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol has a molecular weight of 195.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol is sourced from PubChem (CID 130913224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).