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

C9H8F2O — CID 11073841

IUPAC1-(2,2-difluoroethenyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyTUSNPYTWRBGHSW-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.93
Rot. Bonds2

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

1-(2,2-difluoroethenyl)-4-methoxybenzene (PubChem CID 11073841) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-methoxybenzene
PubChem CID11073841
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name1-(2,2-difluoroethenyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(F)F)cc1
InChIInChI=1S/C9H8F2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKeyTUSNPYTWRBGHSW-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-methoxybenzene?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-methoxybenzene (CID 11073841) is 1-(2,2-difluoroethenyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-methoxybenzene is COc1ccc(C=C(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-methoxybenzene?
The InChIKey is TUSNPYTWRBGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-methoxybenzene?
1-(2,2-difluoroethenyl)-4-methoxybenzene has a molecular weight of 170.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-methoxybenzene is sourced from PubChem (CID 11073841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).