4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine

C8H8F3NO — CID 143062481

IUPAC4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
SMILESNC1=CC=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1,3-5H,2,12H2
InChIKeyCVAPVGSDGGDGSG-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.21
Rot. Bonds1

About 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine

4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine (PubChem CID 143062481) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
PubChem CID143062481
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
SMILESNC1=CC=C(OC(F)(F)F)C=CC1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1,3-5H,2,12H2
InChIKeyCVAPVGSDGGDGSG-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine 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

5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
(3E,5E)-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 142164428
2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 143073553
(3E,5Z)-6-amino-4-(trifluoromethoxy)hepta-3,5-dienenitrile
CID 143808992
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
3-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 163539633
4-(2,2-Difluoroethoxy)-2-fluoro-7-methylcyclohepta-1,3,5-trien-1-amine
CID 167206623
5-(Trifluoromethoxy)cyclohepta-1,3,6-trien-1-amine
CID 162587080
4-(Trifluoromethoxy)cyclohexa-1,2,4-trien-1-amine
CID 176524315
(3E)-5-methyl-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 177992452

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine (CID 143062481) is 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine is NC1=CC=C(OC(F)(F)F)C=CC1.
What is the InChIKey of 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is CVAPVGSDGGDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(12)4-5-7/h1,3-5H,2,12H2.
What are the key properties of 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine?
4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 191.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143062481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).