3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene

C12H15F — CID 170757404

IUPAC3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene
SMILESC/C=C(/C)c1c(C)ccc(F)c1C
InChIInChI=1S/C12H15F/c1-5-8(2)12-9(3)6-7-11(13)10(12)4/h5-7H,1-4H3/b8-5-
InChIKeyRBAXOZCAKZEDRE-YVMONPNESA-N
MW178.25 g/mol
LogP3.87
Rot. Bonds1

About 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene

3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene (PubChem CID 170757404) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene
PubChem CID170757404
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene
SMILESC/C=C(/C)c1c(C)ccc(F)c1C
InChIInChI=1S/C12H15F/c1-5-8(2)12-9(3)6-7-11(13)10(12)4/h5-7H,1-4H3/b8-5-
InChIKeyRBAXOZCAKZEDRE-YVMONPNESA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
CID 171786078
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
CID 166532604
2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene
CID 143669678
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
CID 167205018
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene
CID 144566746
3,6-difluoro-2-methylphenol
CID 66721696
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
3-fluoro-2-formyl-6-methylbenzoic acid
CID 170904709
3,6-difluoro-N,2-dimethylbenzenecarbothioamide
CID 163623914

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene (CID 170757404) is 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene is C/C=C(/C)c1c(C)ccc(F)c1C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene?
The InChIKey is RBAXOZCAKZEDRE-YVMONPNESA-N. The full InChI is InChI=1S/C12H15F/c1-5-8(2)12-9(3)6-7-11(13)10(12)4/h5-7H,1-4H3/b8-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene?
3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene has a molecular weight of 178.25 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene is sourced from PubChem (CID 170757404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).