(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol

C7H10F3NO — CID 166104999

IUPAC(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
SMILESCC/C=C(O)\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(12)6(11-2)7(8,9)10/h4,12H,3H2,1-2H3/b5-4+,11-6+
InChIKeyLNJLGTQCOJNHCU-LJIKRCSCSA-N
MW181.16 g/mol
LogP2.47
Rot. Bonds2

About (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol

(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol (PubChem CID 166104999) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
PubChem CID166104999
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
SMILESCC/C=C(O)\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(12)6(11-2)7(8,9)10/h4,12H,3H2,1-2H3/b5-4+,11-6+
InChIKeyLNJLGTQCOJNHCU-LJIKRCSCSA-N
XLogP2.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
CID 166104491
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
2-hydroxypent-2-enoic acid
CID 20977155
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162549135
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
ethyl (E)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enoate;2-methylpropane
CID 143575654
1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hex-3-ene
CID 146174874
(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine
CID 144962675
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)but-1-en-1-ol
CID 173171355
(2R)-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-2-amine
CID 163933764
ethylazanide;2,2,2-trifluoroacetic acid
CID 158033320
CID 175964810
CID 175964810

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol?
The IUPAC name of (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol (CID 166104999) is (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol is CC/C=C(O)\C(=N/C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol?
The InChIKey is LNJLGTQCOJNHCU-LJIKRCSCSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-5(12)6(11-2)7(8,9)10/h4,12H,3H2,1-2H3/b5-4+,11-6+.
What are the key properties of (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol?
(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol has a molecular weight of 181.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol is sourced from PubChem (CID 166104999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).