(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol

C7H10F3NO — CID 139506613

IUPAC(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol
SMILESC/C=C(\C=C/NC(F)(F)F)CO
InChIInChI=1S/C7H10F3NO/c1-2-6(5-12)3-4-11-7(8,9)10/h2-4,11-12H,5H2,1H3/b4-3-,6-2+
InChIKeyMAUTZOJLVAOIHK-FSEBUJBSSA-N
MW181.16 g/mol
LogP1.55
Rot. Bonds3

About (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol

(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol (PubChem CID 139506613) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol
PubChem CID139506613
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol
SMILESC/C=C(\C=C/NC(F)(F)F)CO
InChIInChI=1S/C7H10F3NO/c1-2-6(5-12)3-4-11-7(8,9)10/h2-4,11-12H,5H2,1H3/b4-3-,6-2+
InChIKeyMAUTZOJLVAOIHK-FSEBUJBSSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol?
The IUPAC name of (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol (CID 139506613) is (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol.
What is the SMILES notation for (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol?
The canonical SMILES for (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol is C/C=C(\C=C/NC(F)(F)F)CO.
What is the InChIKey of (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol?
The InChIKey is MAUTZOJLVAOIHK-FSEBUJBSSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-2-6(5-12)3-4-11-7(8,9)10/h2-4,11-12H,5H2,1H3/b4-3-,6-2+.
What are the key properties of (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol?
(E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol has a molecular weight of 181.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-2-(trifluoromethylamino)ethenyl]but-2-en-1-ol is sourced from PubChem (CID 139506613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).