1-(2,2-difluoroethenyl)-4-methylbenzene

C9H8F2 — CID 6424286

IUPAC1-(2,2-difluoroethenyl)-4-methylbenzene
SMILESCc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6H,1H3
InChIKeyKBWXMNYOXWDCEA-UHFFFAOYSA-N
MW154.16 g/mol
LogP3.23
Rot. Bonds1

About 1-(2,2-difluoroethenyl)-4-methylbenzene

1-(2,2-difluoroethenyl)-4-methylbenzene (PubChem CID 6424286) has the molecular formula C9H8F2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-methylbenzene
PubChem CID6424286
Molecular FormulaC9H8F2
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-(2,2-difluoroethenyl)-4-methylbenzene
SMILESCc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6H,1H3
InChIKeyKBWXMNYOXWDCEA-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)phenyl]benzene
CID 129308082
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
4-(2,2-difluoroethenyl)aniline
CID 45091677
1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
CID 102110854
(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
CID 102132917
1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene
CID 5382492
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
trimethyl-[2-(4-methylphenyl)-1-trimethylsilylethenyl]silane
CID 14784450
1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene
CID 11012144
1-(2,2-diisocyanoethenyl)-4-methylbenzene
CID 58090174
(E)-1-deuterio-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 167622217

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-methylbenzene (CID 6424286) is 1-(2,2-difluoroethenyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-methylbenzene is Cc1ccc(C=C(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-methylbenzene?
The InChIKey is KBWXMNYOXWDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6H,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-methylbenzene?
1-(2,2-difluoroethenyl)-4-methylbenzene has a molecular weight of 154.16 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-methylbenzene is sourced from PubChem (CID 6424286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).