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

C11H11F6NO — CID 2783073

IUPAC1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1ccccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6NO/c12-10(13,14)8-4-2-1-3-7(8)5-18-6-9(19)11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyCBPHMWQVYCPSIP-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.72
Rot. Bonds4

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

1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol (PubChem CID 2783073) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
PubChem CID2783073
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESOC(CNCc1ccccc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6NO/c12-10(13,14)8-4-2-1-3-7(8)5-18-6-9(19)11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyCBPHMWQVYCPSIP-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

3-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 102904012
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 115611293
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 114472266
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
1-[2-(trifluoromethyl)phenyl]-N-[[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]methanamine;dihydrochloride
CID 138398761
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol (CID 2783073) is 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol is OC(CNCc1ccccc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is CBPHMWQVYCPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-10(13,14)8-4-2-1-3-7(8)5-18-6-9(19)11(15,16)17/h1-4,9,18-19H,5-6H2.
What are the key properties of 1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 2.72, 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-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 2783073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).