1,3-difluoro-5-methoxybenzene

C7H6F2O — CID 2724518

IUPAC1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyOTGQPYSISUUHAF-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.97
Rot. Bonds1

About 1,3-difluoro-5-methoxybenzene

1,3-difluoro-5-methoxybenzene (PubChem CID 2724518) has the molecular formula C7H6F2O and a molecular weight of 144.12 g/mol. Its IUPAC name is 1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name1,3-difluoro-5-methoxybenzene
PubChem CID2724518
Molecular FormulaC7H6F2O
Molecular Weight144.12 g/mol
Exact Mass144.04
IUPAC Name1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyOTGQPYSISUUHAF-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anisole
CID 7519
1,4-Dimethoxybenzene
CID 9016
Phenetole
CID 7674
Butyl phenyl ether
CID 14311
(4-Methoxyphenyl)boronic acid
CID 201262
4,4'-Difluorodiphenyl ether
CID 67615
Allyl phenyl ether
CID 74458
o-Iodoanisole
CID 68257
Phenyl vinyl ether
CID 69840
Benzene, (1,1,2,2-tetrafluoroethoxy)-
CID 67692
Benzene, propoxy-
CID 12155
2-Methoxyphenylboronic acid
CID 2733958

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methoxybenzene?
The IUPAC name of 1,3-difluoro-5-methoxybenzene (CID 2724518) is 1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 1,3-difluoro-5-methoxybenzene is COc1cc(F)cc(F)c1.
What is the InChIKey of 1,3-difluoro-5-methoxybenzene?
The InChIKey is OTGQPYSISUUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3.
What are the key properties of 1,3-difluoro-5-methoxybenzene?
1,3-difluoro-5-methoxybenzene has a molecular weight of 144.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 2724518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).