1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene

C14H10F4O — CID 19436579

IUPAC1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H10F4O/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)19-14(17)18/h2-7,14H,1H3
InChIKeyQUSODQLDGNZJFC-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene

1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 19436579) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene
PubChem CID19436579
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H10F4O/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)19-14(17)18/h2-7,14H,1H3
InChIKeyQUSODQLDGNZJFC-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene (CID 19436579) is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is QUSODQLDGNZJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(6-4-9)19-14(17)18/h2-7,14H,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene?
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 270.23 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 19436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).