1-[2-(trifluoromethyl)anilino]butan-2-ol

C11H14F3NO — CID 60887085

IUPAC1-[2-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-8(16)7-15-10-6-4-3-5-9(10)11(12,13)14/h3-6,8,15-16H,2,7H2,1H3
InChIKeyVUFICFVNQDQSCR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(trifluoromethyl)anilino]butan-2-ol

1-[2-(trifluoromethyl)anilino]butan-2-ol (PubChem CID 60887085) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)anilino]butan-2-ol
PubChem CID60887085
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[2-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-2-8(16)7-15-10-6-4-3-5-9(10)11(12,13)14/h3-6,8,15-16H,2,7H2,1H3
InChIKeyVUFICFVNQDQSCR-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
3-[[2-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 81067136
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
3-[2-(3-hydroxypentan-3-yl)anilino]propane-1,2-diol
CID 168596692
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
1-[5-bromo-2-(trifluoromethyl)anilino]pentan-2-ol
CID 107286594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)anilino]butan-2-ol?
The IUPAC name of 1-[2-(trifluoromethyl)anilino]butan-2-ol (CID 60887085) is 1-[2-(trifluoromethyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)anilino]butan-2-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)anilino]butan-2-ol is CCC(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)anilino]butan-2-ol?
The InChIKey is VUFICFVNQDQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-8(16)7-15-10-6-4-3-5-9(10)11(12,13)14/h3-6,8,15-16H,2,7H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)anilino]butan-2-ol?
1-[2-(trifluoromethyl)anilino]butan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)anilino]butan-2-ol is sourced from PubChem (CID 60887085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).