1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol

C12H15F4NO — CID 113236994

IUPAC1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
SMILESCCCC(O)CNc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-2-3-9(18)7-17-11-5-4-8(6-10(11)13)12(14,15)16/h4-6,9,17-18H,2-3,7H2,1H3
InChIKeyAOWWUILBSSCDOH-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol

1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol (PubChem CID 113236994) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
PubChem CID113236994
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
SMILESCCCC(O)CNc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4NO/c1-2-3-9(18)7-17-11-5-4-8(6-10(11)13)12(14,15)16/h4-6,9,17-18H,2-3,7H2,1H3
InChIKeyAOWWUILBSSCDOH-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloropentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304160
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 63036846
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107303431
2-fluoro-N-(hexylsulfanylmethyl)-4-(trifluoromethyl)aniline
CID 129162276
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol (CID 113236994) is 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol is CCCC(O)CNc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol?
The InChIKey is AOWWUILBSSCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-3-9(18)7-17-11-5-4-8(6-10(11)13)12(14,15)16/h4-6,9,17-18H,2-3,7H2,1H3.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol?
1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol has a molecular weight of 265.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol is sourced from PubChem (CID 113236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).