1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene

C11H11F3 — CID 122397383

IUPAC1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
SMILESC=C(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H11F3/c1-8-3-5-10(6-4-8)9(2)7-11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyYHMRJGVOCHCWJZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP3.96
Rot. Bonds2

About 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene

1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene (PubChem CID 122397383) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
PubChem CID122397383
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
SMILESC=C(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H11F3/c1-8-3-5-10(6-4-8)9(2)7-11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyYHMRJGVOCHCWJZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
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CID 143865907
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
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1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
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1-dec-1-en-2-yl-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene (CID 122397383) is 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene is C=C(CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene?
The InChIKey is YHMRJGVOCHCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3/c1-8-3-5-10(6-4-8)9(2)7-11(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene?
1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene has a molecular weight of 200.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene is sourced from PubChem (CID 122397383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).