(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine

C10H10F3NO — CID 139397517

IUPAC(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine
SMILESN/C=C/C1=CCC(OC(F)(F)F)=CC=C1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-3-1-2-8(4-5-9)6-7-14/h1-4,6-7H,5,14H2/b7-6+
InChIKeyXJDJCADTZFDGPT-VOTSOKGWSA-N
MW217.19 g/mol
LogP2.77
Rot. Bonds2

About (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine

(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine (PubChem CID 139397517) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine.

Molecular Properties

Compound Name(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine
PubChem CID139397517
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine
SMILESN/C=C/C1=CCC(OC(F)(F)F)=CC=C1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-3-1-2-8(4-5-9)6-7-14/h1-4,6-7H,5,14H2/b7-6+
InChIKeyXJDJCADTZFDGPT-VOTSOKGWSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(Trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 142236543
(1Z,3Z,5E)-6-methoxy-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 144180308
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149843

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine?
The IUPAC name of (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine (CID 139397517) is (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine.
What is the SMILES notation for (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine?
The canonical SMILES for (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine is N/C=C/C1=CCC(OC(F)(F)F)=CC=C1.
What is the InChIKey of (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine?
The InChIKey is XJDJCADTZFDGPT-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)15-9-3-1-2-8(4-5-9)6-7-14/h1-4,6-7H,5,14H2/b7-6+.
What are the key properties of (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine?
(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine has a molecular weight of 217.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine is sourced from PubChem (CID 139397517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).