1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene

C11H8F4 — CID 163483259

IUPAC1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(C=C2CC2)cccc1C(F)(F)F
InChIInChI=1S/C11H8F4/c12-10-8(6-7-4-5-7)2-1-3-9(10)11(13,14)15/h1-3,6H,4-5H2
InChIKeyCGJWXLONHZDBOG-UHFFFAOYSA-N
MW216.18 g/mol
LogP4.02
Rot. Bonds1

About 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene

1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 163483259) has the molecular formula C11H8F4 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID163483259
Molecular FormulaC11H8F4
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESFc1c(C=C2CC2)cccc1C(F)(F)F
InChIInChI=1S/C11H8F4/c12-10-8(6-7-4-5-7)2-1-3-9(10)11(13,14)15/h1-3,6H,4-5H2
InChIKeyCGJWXLONHZDBOG-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene (CID 163483259) is 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene is Fc1c(C=C2CC2)cccc1C(F)(F)F.
What is the InChIKey of 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is CGJWXLONHZDBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4/c12-10-8(6-7-4-5-7)2-1-3-9(10)11(13,14)15/h1-3,6H,4-5H2.
What are the key properties of 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene?
1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 216.18 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 163483259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).