2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene

C14H10F4O — CID 21026870

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)19-14(17)18/h2-7,14H,1H3
InChIKeyRNOZHPOBWBWYCW-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.54
Rot. Bonds3

About 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene

2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene (PubChem CID 21026870) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
PubChem CID21026870
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(OC(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)19-14(17)18/h2-7,14H,1H3
InChIKeyRNOZHPOBWBWYCW-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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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
CID 18344232
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
CID 21026855
2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
CID 59207583
2-butoxy-1,3-difluoro-5-[4-(4-methylphenyl)phenyl]benzene
CID 145222957
2-(difluoromethoxy)-3-fluoro-5-methylaniline;hydrochloride
CID 119081480
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-(4-iodocyclohexyl)ethyl]phenyl]benzene
CID 162547419
1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
CID 163198061
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-[[4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-3-fluoro-5-methylphenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134376199

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene (CID 21026870) is 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(OC(F)F)c(F)c2)cc1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene?
The InChIKey is RNOZHPOBWBWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)19-14(17)18/h2-7,14H,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene?
2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene 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 2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene is sourced from PubChem (CID 21026870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).