7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene

C10H9F3 — CID 178118507

IUPAC7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C(F)(F)F)Cc2ccccc21
InChIInChI=1S/C10H9F3/c1-9(10(11,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyXBFDZSZLGOKQGJ-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.06
Rot. Bonds

About 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene

7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 178118507) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID178118507
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C(F)(F)F)Cc2ccccc21
InChIInChI=1S/C10H9F3/c1-9(10(11,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKeyXBFDZSZLGOKQGJ-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 99779575
4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
CID 90978390
7,7-difluorobicyclo[4.2.0]octa-1,3,5-triene
CID 168862881
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
N-methyl-2-(trifluoromethyl)-1,3-dihydroinden-2-amine
CID 66205549
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 2753008
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
4-(2,3,3-trimethyl-1H-inden-2-yl)aniline
CID 67698812
3a,8b-dimethyl-1,2,3,4-tetrahydroindeno[1,2-b]pyrrole;hydrochloride
CID 68503022
5-methyl-5-(trifluoromethyl)-1,4-dihydro-3,1-benzoxazepin-2-one
CID 59947983
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-diazirine]
CID 10749210
(1R,2R)-2-ethyl-1,2-dimethyl-3H-inden-1-amine;hydrochloride
CID 67389496

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene (CID 178118507) is 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene is CC1(C(F)(F)F)Cc2ccccc21.
What is the InChIKey of 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is XBFDZSZLGOKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c1-9(10(11,12)13)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3.
What are the key properties of 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene?
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 186.18 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 178118507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).