1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol

C11H10F7NO — CID 103851384

IUPAC1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H10F7NO/c12-8-2-1-6(3-7(8)10(13,14)15)4-19-5-9(20)11(16,17)18/h1-3,9,19-20H,4-5H2
InChIKeyUYDXGCYACZCWDI-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.86
Rot. Bonds4

About 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol

1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (PubChem CID 103851384) has the molecular formula C11H10F7NO and a molecular weight of 305.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
PubChem CID103851384
Molecular FormulaC11H10F7NO
Molecular Weight305.19 g/mol
Exact Mass305.07
IUPAC Name1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H10F7NO/c12-8-2-1-6(3-7(8)10(13,14)15)4-19-5-9(20)11(16,17)18/h1-3,9,19-20H,4-5H2
InChIKeyUYDXGCYACZCWDI-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
(2R,3S)-3-amino-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 69361428
(1R)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97244163
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylbut-2-en-1-amine
CID 103527880
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (CID 103851384) is 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is OC(CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is UYDXGCYACZCWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7NO/c12-8-2-1-6(3-7(8)10(13,14)15)4-19-5-9(20)11(16,17)18/h1-3,9,19-20H,4-5H2.
What are the key properties of 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 305.19 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 103851384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).