(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol

C11H12F3NO — CID 115038099

IUPAC(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
SMILESOC/C=C/CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-5-1-2-6-10(9)15-7-3-4-8-16/h1-6,15-16H,7-8H2/b4-3+
InChIKeyAGAXFQQYYRZBPK-ONEGZZNKSA-N
MW231.22 g/mol
LogP2.67
Rot. Bonds4

About (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol

(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol (PubChem CID 115038099) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
PubChem CID115038099
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
SMILESOC/C=C/CNc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-5-1-2-6-10(9)15-7-3-4-8-16/h1-6,15-16H,7-8H2/b4-3+
InChIKeyAGAXFQQYYRZBPK-ONEGZZNKSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
CID 114008841
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19876981
methyl (Z)-2-ethyl-4-[2-(trifluoromethyl)anilino]but-2-enoate
CID 103232098
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol?
The IUPAC name of (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol (CID 115038099) is (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol?
The canonical SMILES for (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol is OC/C=C/CNc1ccccc1C(F)(F)F.
What is the InChIKey of (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol?
The InChIKey is AGAXFQQYYRZBPK-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-5-1-2-6-10(9)15-7-3-4-8-16/h1-6,15-16H,7-8H2/b4-3+.
What are the key properties of (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol?
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol has a molecular weight of 231.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol is sourced from PubChem (CID 115038099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).