[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride

C8H11ClF3NO2 — CID 171211482

IUPAC[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(CO)o1
InChIInChI=1S/C8H10F3NO2.ClH/c9-8(10,11)3-6(12)7-2-1-5(4-13)14-7;/h1-2,6,13H,3-4,12H2;1H/t6-;/m1./s1
InChIKeyXWZSFCLDSMNVFZ-FYZOBXCZSA-N
MW245.63 g/mol
LogP2.15
Rot. Bonds3

About [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride

[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride (PubChem CID 171211482) has the molecular formula C8H11ClF3NO2 and a molecular weight of 245.63 g/mol. Its IUPAC name is [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
PubChem CID171211482
Molecular FormulaC8H11ClF3NO2
Molecular Weight245.63 g/mol
Exact Mass245.04
IUPAC Name[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(CO)o1
InChIInChI=1S/C8H10F3NO2.ClH/c9-8(10,11)3-6(12)7-2-1-5(4-13)14-7;/h1-2,6,13H,3-4,12H2;1H/t6-;/m1./s1
InChIKeyXWZSFCLDSMNVFZ-FYZOBXCZSA-N
XLogP2.15
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
(1R)-3,3,3-trifluoro-1-(5-nitrofuran-2-yl)propan-1-amine
CID 171198348
(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-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine
CID 104941070
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride?
The IUPAC name of [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride (CID 171211482) is [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride?
The canonical SMILES for [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(CO)o1.
What is the InChIKey of [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride?
The InChIKey is XWZSFCLDSMNVFZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10F3NO2.ClH/c9-8(10,11)3-6(12)7-2-1-5(4-13)14-7;/h1-2,6,13H,3-4,12H2;1H/t6-;/m1./s1.
What are the key properties of [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride?
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride has a molecular weight of 245.63 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 171211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).