(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene

C11H11F3 — CID 175518211

IUPAC(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene
SMILESCC(CF)=C(c1ccccc1)C(F)F
InChIInChI=1S/C11H11F3/c1-8(7-12)10(11(13)14)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKeyITBHWQIKDFAARG-UHFFFAOYSA-N
MW200.20 g/mol
LogP3.69
Rot. Bonds3

About (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene

(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene (PubChem CID 175518211) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene.

Molecular Properties

Compound Name(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene
PubChem CID175518211
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene
SMILESCC(CF)=C(c1ccccc1)C(F)F
InChIInChI=1S/C11H11F3/c1-8(7-12)10(11(13)14)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKeyITBHWQIKDFAARG-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoroacetic acid;1-phenylethanone
CID 174359405
3,3-difluoro-2-methyl-1-phenylprop-1-en-1-amine
CID 118395111
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
diphenylmethanimine;ethane
CID 145102767
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084

Frequently Asked Questions

What is the IUPAC name of (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene?
The IUPAC name of (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene (CID 175518211) is (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene.
What is the SMILES notation for (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene?
The canonical SMILES for (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene is CC(CF)=C(c1ccccc1)C(F)F.
What is the InChIKey of (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene?
The InChIKey is ITBHWQIKDFAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3/c1-8(7-12)10(11(13)14)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3.
What are the key properties of (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene?
(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene has a molecular weight of 200.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene is sourced from PubChem (CID 175518211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).