1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol

C8H10F3NO2 — CID 2738628

IUPAC1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccco1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h1-3,7,12-13H,4-5H2
InChIKeyXETPXZLRQMSDLF-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.29
Rot. Bonds4

About 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol

1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 2738628) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID2738628
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCc1ccco1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h1-3,7,12-13H,4-5H2
InChIKeyXETPXZLRQMSDLF-UHFFFAOYSA-N
XLogP1.29
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
CID 103366989
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592466
3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 3063265
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 7189037
1-(furan-2-ylmethyl)-1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 119132284
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol (CID 2738628) is 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol is OC(CNCc1ccco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is XETPXZLRQMSDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h1-3,7,12-13H,4-5H2.
What are the key properties of 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol?
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 209.17 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 2738628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).