2-chloro-1-(difluoromethoxy)-3-ethenylbenzene

C9H7ClF2O — CID 118270190

IUPAC2-chloro-1-(difluoromethoxy)-3-ethenylbenzene
SMILESC=Cc1cccc(OC(F)F)c1Cl
InChIInChI=1S/C9H7ClF2O/c1-2-6-4-3-5-7(8(6)10)13-9(11)12/h2-5,9H,1H2
InChIKeyUCWNUVQXDFIYQO-UHFFFAOYSA-N
MW204.60 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene

2-chloro-1-(difluoromethoxy)-3-ethenylbenzene (PubChem CID 118270190) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethoxy)-3-ethenylbenzene
PubChem CID118270190
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name2-chloro-1-(difluoromethoxy)-3-ethenylbenzene
SMILESC=Cc1cccc(OC(F)F)c1Cl
InChIInChI=1S/C9H7ClF2O/c1-2-6-4-3-5-7(8(6)10)13-9(11)12/h2-5,9H,1H2
InChIKeyUCWNUVQXDFIYQO-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene?
The IUPAC name of 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene (CID 118270190) is 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene.
What is the SMILES notation for 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene?
The canonical SMILES for 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene is C=Cc1cccc(OC(F)F)c1Cl.
What is the InChIKey of 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene?
The InChIKey is UCWNUVQXDFIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c1-2-6-4-3-5-7(8(6)10)13-9(11)12/h2-5,9H,1H2.
What are the key properties of 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene?
2-chloro-1-(difluoromethoxy)-3-ethenylbenzene has a molecular weight of 204.60 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethoxy)-3-ethenylbenzene is sourced from PubChem (CID 118270190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).