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

C11H9F3 — CID 89386202

IUPAC1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=C2CC2)c1
InChIInChI=1S/C11H9F3/c12-11(13,14)10-3-1-2-9(7-10)6-8-4-5-8/h1-3,6-7H,4-5H2
InChIKeyBCQRUSOTYCHTAE-UHFFFAOYSA-N
MW198.19 g/mol
LogP3.88
Rot. Bonds1

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

1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene (PubChem CID 89386202) has the molecular formula C11H9F3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
PubChem CID89386202
Molecular FormulaC11H9F3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(C=C2CC2)c1
InChIInChI=1S/C11H9F3/c12-11(13,14)10-3-1-2-9(7-10)6-8-4-5-8/h1-3,6-7H,4-5H2
InChIKeyBCQRUSOTYCHTAE-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
CID 70967348
3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
CID 79880639
3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
CID 79880647
(2Z,6E)-4-methyl-2,6-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
CID 2329911
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
CID 177498684
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
4-[(3-fluorophenyl)methylidene]oxane
CID 165450645
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
CID 164599486
(2E)-4-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylidene]-3H-inden-1-one
CID 99871922

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene (CID 89386202) is 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(C=C2CC2)c1.
What is the InChIKey of 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene?
The InChIKey is BCQRUSOTYCHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3/c12-11(13,14)10-3-1-2-9(7-10)6-8-4-5-8/h1-3,6-7H,4-5H2.
What are the key properties of 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene?
1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene has a molecular weight of 198.19 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 89386202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).