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

C9H9ClF2O — CID 2119406

IUPAC1-chloro-4-(difluoromethoxy)-2-ethylbenzene
SMILESCCc1cc(OC(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF2O/c1-2-6-5-7(13-9(11)12)3-4-8(6)10/h3-5,9H,2H2,1H3
InChIKeyACQPLNTUIYFHCQ-UHFFFAOYSA-N
MW206.62 g/mol
LogP3.50
Rot. Bonds3

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

1-chloro-4-(difluoromethoxy)-2-ethylbenzene (PubChem CID 2119406) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethoxy)-2-ethylbenzene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethoxy)-2-ethylbenzene
PubChem CID2119406
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name1-chloro-4-(difluoromethoxy)-2-ethylbenzene
SMILESCCc1cc(OC(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF2O/c1-2-6-5-7(13-9(11)12)3-4-8(6)10/h3-5,9H,2H2,1H3
InChIKeyACQPLNTUIYFHCQ-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(difluoromethoxy)-2-ethylbenzene?
The IUPAC name of 1-chloro-4-(difluoromethoxy)-2-ethylbenzene (CID 2119406) is 1-chloro-4-(difluoromethoxy)-2-ethylbenzene.
What is the SMILES notation for 1-chloro-4-(difluoromethoxy)-2-ethylbenzene?
The canonical SMILES for 1-chloro-4-(difluoromethoxy)-2-ethylbenzene is CCc1cc(OC(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-4-(difluoromethoxy)-2-ethylbenzene?
The InChIKey is ACQPLNTUIYFHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-2-6-5-7(13-9(11)12)3-4-8(6)10/h3-5,9H,2H2,1H3.
What are the key properties of 1-chloro-4-(difluoromethoxy)-2-ethylbenzene?
1-chloro-4-(difluoromethoxy)-2-ethylbenzene has a molecular weight of 206.62 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethoxy)-2-ethylbenzene is sourced from PubChem (CID 2119406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).