3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol

C12H15F4NO — CID 55181933

IUPAC3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
SMILESCCC(N)C(O)(c1ccc(F)c(C)c1)C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-3-10(17)11(18,12(14,15)16)8-4-5-9(13)7(2)6-8/h4-6,10,18H,3,17H2,1-2H3
InChIKeyYKBWNHREAGJZMC-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.62
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol

3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol (PubChem CID 55181933) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
PubChem CID55181933
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
SMILESCCC(N)C(O)(c1ccc(F)c(C)c1)C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-3-10(17)11(18,12(14,15)16)8-4-5-9(13)7(2)6-8/h4-6,10,18H,3,17H2,1-2H3
InChIKeyYKBWNHREAGJZMC-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-chloro-4-methylphenyl)-1,1,1-trifluoropentan-2-ol
CID 107560915
3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
CID 63083776
3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
CID 63680404
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
CID 114733018
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
ethyl (3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-methylphenyl)propanoate
CID 171247768
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol (CID 55181933) is 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol is CCC(N)C(O)(c1ccc(F)c(C)c1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol?
The InChIKey is YKBWNHREAGJZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-3-10(17)11(18,12(14,15)16)8-4-5-9(13)7(2)6-8/h4-6,10,18H,3,17H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol has a molecular weight of 265.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 55181933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).