[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol

C9H12F3NO2 — CID 171231086

IUPAC[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
SMILESN[C@@H](CCC(F)(F)F)c1ccc(CO)o1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)4-3-7(13)8-2-1-6(5-14)15-8/h1-2,7,14H,3-5,13H2/t7-/m0/s1
InChIKeyBGYBUVWTXTTWGZ-ZETCQYMHSA-N
MW223.19 g/mol
LogP2.11
Rot. Bonds4

About [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol

[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol (PubChem CID 171231086) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
PubChem CID171231086
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
SMILESN[C@@H](CCC(F)(F)F)c1ccc(CO)o1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)4-3-7(13)8-2-1-6(5-14)15-8/h1-2,7,14H,3-5,13H2/t7-/m0/s1
InChIKeyBGYBUVWTXTTWGZ-ZETCQYMHSA-N
XLogP2.11
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[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
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171219567
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol (CID 171231086) is [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol is N[C@@H](CCC(F)(F)F)c1ccc(CO)o1.
What is the InChIKey of [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol?
The InChIKey is BGYBUVWTXTTWGZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)4-3-7(13)8-2-1-6(5-14)15-8/h1-2,7,14H,3-5,13H2/t7-/m0/s1.
What are the key properties of [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol?
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol has a molecular weight of 223.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol is sourced from PubChem (CID 171231086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).