2-chloro-4-(difluoromethoxy)-1-ethoxybenzene

C9H9ClF2O2 — CID 20701299

IUPAC2-chloro-4-(difluoromethoxy)-1-ethoxybenzene
SMILESCCOc1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C9H9ClF2O2/c1-2-13-8-4-3-6(5-7(8)10)14-9(11)12/h3-5,9H,2H2,1H3
InChIKeyKKTBQEOAEVQUAA-UHFFFAOYSA-N
MW222.62 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene

2-chloro-4-(difluoromethoxy)-1-ethoxybenzene (PubChem CID 20701299) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-1-ethoxybenzene
PubChem CID20701299
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name2-chloro-4-(difluoromethoxy)-1-ethoxybenzene
SMILESCCOc1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C9H9ClF2O2/c1-2-13-8-4-3-6(5-7(8)10)14-9(11)12/h3-5,9H,2H2,1H3
InChIKeyKKTBQEOAEVQUAA-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene (CID 20701299) is 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene is CCOc1ccc(OC(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene?
The InChIKey is KKTBQEOAEVQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-2-13-8-4-3-6(5-7(8)10)14-9(11)12/h3-5,9H,2H2,1H3.
What are the key properties of 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene?
2-chloro-4-(difluoromethoxy)-1-ethoxybenzene has a molecular weight of 222.62 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-1-ethoxybenzene is sourced from PubChem (CID 20701299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).