1-chloro-4-(difluoromethoxy)benzene

C7H5ClF2O — CID 10997613

IUPAC1-chloro-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C7H5ClF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeySYJQEQBXNOPBAT-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.94
Rot. Bonds2

About 1-chloro-4-(difluoromethoxy)benzene

1-chloro-4-(difluoromethoxy)benzene (PubChem CID 10997613) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethoxy)benzene
PubChem CID10997613
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name1-chloro-4-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C7H5ClF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeySYJQEQBXNOPBAT-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.94
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)benzene?
The IUPAC name of 1-chloro-4-(difluoromethoxy)benzene (CID 10997613) is 1-chloro-4-(difluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-4-(difluoromethoxy)benzene?
The canonical SMILES for 1-chloro-4-(difluoromethoxy)benzene is FC(F)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(difluoromethoxy)benzene?
The InChIKey is SYJQEQBXNOPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H.
What are the key properties of 1-chloro-4-(difluoromethoxy)benzene?
1-chloro-4-(difluoromethoxy)benzene has a molecular weight of 178.56 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethoxy)benzene is sourced from PubChem (CID 10997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).