1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol

C12H15F4NO — CID 78927299

IUPAC1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-11(2,18)7-17-6-8-3-4-9(13)5-10(8)12(14,15)16/h3-5,17-18H,6-7H2,1-2H3
InChIKeyUCGSDFIKEAOLQB-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.70
Rot. Bonds4

About 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol (PubChem CID 78927299) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
PubChem CID78927299
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-11(2,18)7-17-6-8-3-4-9(13)5-10(8)12(14,15)16/h3-5,17-18H,6-7H2,1-2H3
InChIKeyUCGSDFIKEAOLQB-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267548
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol (CID 78927299) is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The InChIKey is UCGSDFIKEAOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-11(2,18)7-17-6-8-3-4-9(13)5-10(8)12(14,15)16/h3-5,17-18H,6-7H2,1-2H3.
What are the key properties of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol?
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol has a molecular weight of 265.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78927299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).