5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine

C9H11F2NO — CID 135190298

IUPAC5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(OC(F)F)C=CC=C(N)C1
InChIInChI=1S/C9H11F2NO/c1-6-5-7(12)3-2-4-8(6)13-9(10)11/h2-4,9H,5,12H2,1H3
InChIKeyARSJSHNSVGLUDU-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.30
Rot. Bonds2

About 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine

5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine (PubChem CID 135190298) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
PubChem CID135190298
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(OC(F)F)C=CC=C(N)C1
InChIInChI=1S/C9H11F2NO/c1-6-5-7(12)3-2-4-8(6)13-9(10)11/h2-4,9H,5,12H2,1H3
InChIKeyARSJSHNSVGLUDU-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethoxy)-6-methylcyclohepta-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

(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527451
2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 143073553
Ethane;2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086038
3-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 163539633
(3Z,4Z)-4-ethenyl-6-ethyl-5-methoxy-3-[2-(trifluoromethyl)pent-2-enylidene]nona-1,4,6-trien-2-amine
CID 166907514
4-(2,2-Difluoroethoxy)-2-fluoro-7-methylcyclohepta-1,3,5-trien-1-amine
CID 167206623
4-(Trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
CID 143062481
2-(2-Methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086039
(3E)-5-methyl-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 177992452
(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine
CID 178040888
(4E,6E)-5-methoxy-7-methylnona-4,6,8-trien-4-amine
CID 156450918
4-Methoxycyclohepta-1,3,5-trien-1-amine
CID 163916973

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine (CID 135190298) is 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine is CC1=C(OC(F)F)C=CC=C(N)C1.
What is the InChIKey of 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is ARSJSHNSVGLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6-5-7(12)3-2-4-8(6)13-9(10)11/h2-4,9H,5,12H2,1H3.
What are the key properties of 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine?
5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 187.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 135190298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).