[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene

C11H7F7 — CID 23264681

IUPAC[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene
SMILESFC(Cc1ccccc1)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F7/c12-8(6-7-4-2-1-3-5-7)9(10(13,14)15)11(16,17)18/h1-5H,6H2
InChIKeyYEJWMMWRJMMLRQ-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.58
Rot. Bonds2

About [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene

[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene (PubChem CID 23264681) has the molecular formula C11H7F7 and a molecular weight of 272.16 g/mol. Its IUPAC name is [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene.

Molecular Properties

Compound Name[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene
PubChem CID23264681
Molecular FormulaC11H7F7
Molecular Weight272.16 g/mol
Exact Mass272.04
IUPAC Name[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene
SMILESFC(Cc1ccccc1)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F7/c12-8(6-7-4-2-1-3-5-7)9(10(13,14)15)11(16,17)18/h1-5H,6H2
InChIKeyYEJWMMWRJMMLRQ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
CID 5383436
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
(E)-3-benzyl-4,4,4-trifluorobut-2-enoic acid
CID 68536678
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
1,3,3-trifluoro-5-phenylpentane-2,4-dione
CID 88513079
[(E)-1,1,1,2,5,6,6,6-octafluoro-2,4,5-tris(trifluoromethyl)hex-3-en-3-yl]sulfanylmethylbenzene
CID 134879538
3-benzyl-2-ethyl-4,4,4-trifluorobut-2-enoic acid
CID 68538540
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
3-benzyl-2-fluoro-4-phenylbut-2-enoic acid
CID 79729262
1,3-diphenyl(213C)propan-2-one
CID 100945080
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417

Frequently Asked Questions

What is the IUPAC name of [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene?
The IUPAC name of [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene (CID 23264681) is [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene.
What is the SMILES notation for [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene?
The canonical SMILES for [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene is FC(Cc1ccccc1)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene?
The InChIKey is YEJWMMWRJMMLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7/c12-8(6-7-4-2-1-3-5-7)9(10(13,14)15)11(16,17)18/h1-5H,6H2.
What are the key properties of [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene?
[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene has a molecular weight of 272.16 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene is sourced from PubChem (CID 23264681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).