7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene

C9H8F4 — CID 139455912

IUPAC7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C(F)(F)F)=CC=CC1F
InChIInChI=1S/C9H8F4/c1-6-5-7(9(11,12)13)3-2-4-8(6)10/h2-5,8H,1H3
InChIKeyXMASCBVNCSQFGG-UHFFFAOYSA-N
MW192.16 g/mol
LogP3.33
Rot. Bonds

About 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene

7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 139455912) has the molecular formula C9H8F4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID139455912
Molecular FormulaC9H8F4
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCC1=CC(C(F)(F)F)=CC=CC1F
InChIInChI=1S/C9H8F4/c1-6-5-7(9(11,12)13)3-2-4-8(6)10/h2-5,8H,1H3
InChIKeyXMASCBVNCSQFGG-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 139455912) is 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene is CC1=CC(C(F)(F)F)=CC=CC1F.
What is the InChIKey of 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is XMASCBVNCSQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-6-5-7(9(11,12)13)3-2-4-8(6)10/h2-5,8H,1H3.
What are the key properties of 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene?
7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 192.16 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 139455912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).