1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene

C11H12F2 — CID 167205018

IUPAC1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
SMILESC/C=C(/C)c1cc(F)c(F)cc1C
InChIInChI=1S/C11H12F2/c1-4-7(2)9-6-11(13)10(12)5-8(9)3/h4-6H,1-3H3/b7-4-
InChIKeyHPJNZSFSTLTHNK-DAXSKMNVSA-N
MW182.21 g/mol
LogP3.70
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene

1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene (PubChem CID 167205018) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
PubChem CID167205018
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene
SMILESC/C=C(/C)c1cc(F)c(F)cc1C
InChIInChI=1S/C11H12F2/c1-4-7(2)9-6-11(13)10(12)5-8(9)3/h4-6H,1-3H3/b7-4-
InChIKeyHPJNZSFSTLTHNK-DAXSKMNVSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene (CID 167205018) is 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene is C/C=C(/C)c1cc(F)c(F)cc1C.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene?
The InChIKey is HPJNZSFSTLTHNK-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H12F2/c1-4-7(2)9-6-11(13)10(12)5-8(9)3/h4-6H,1-3H3/b7-4-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene?
1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-4,5-difluoro-2-methylbenzene is sourced from PubChem (CID 167205018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).