3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol

C14H19F4NO — CID 103952707

IUPAC3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-12(2,13(3,4)20)19-8-9-5-6-10(15)7-11(9)14(16,17)18/h5-7,19-20H,8H2,1-4H3
InChIKeyWFYUCUZMZCMYFU-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.48
Rot. Bonds4

About 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 103952707) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
PubChem CID103952707
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-12(2,13(3,4)20)19-8-9-5-6-10(15)7-11(9)14(16,17)18/h5-7,19-20H,8H2,1-4H3
InChIKeyWFYUCUZMZCMYFU-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 60557602
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
2,6-dibromo-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
CID 107597623
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
CID 103824022
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 86782852

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol (CID 103952707) is 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is WFYUCUZMZCMYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-12(2,13(3,4)20)19-8-9-5-6-10(15)7-11(9)14(16,17)18/h5-7,19-20H,8H2,1-4H3.
What are the key properties of 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 293.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103952707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).