1,2-bis(difluoromethoxy)benzene

C8H6F4O2 — CID 2769568

IUPAC1,2-bis(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1OC(F)F
InChIInChI=1S/C8H6F4O2/c9-7(10)13-5-3-1-2-4-6(5)14-8(11)12/h1-4,7-8H
InChIKeyITQCXTOQWOFOGH-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.89
Rot. Bonds4

About 1,2-bis(difluoromethoxy)benzene

1,2-bis(difluoromethoxy)benzene (PubChem CID 2769568) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 1,2-bis(difluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-bis(difluoromethoxy)benzene
PubChem CID2769568
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name1,2-bis(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1OC(F)F
InChIInChI=1S/C8H6F4O2/c9-7(10)13-5-3-1-2-4-6(5)14-8(11)12/h1-4,7-8H
InChIKeyITQCXTOQWOFOGH-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 7043
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CID 87170
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CID 74904
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CID 10301
CID 10301
CID 585779
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CID 67692
CID 67692
CID 81635
CID 81635
CID 84197
CID 84197
CID 586075
CID 586075
CID 68010
CID 68010
CID 77894
CID 77894
CID 74103
CID 74103

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(difluoromethoxy)benzene?
The IUPAC name of 1,2-bis(difluoromethoxy)benzene (CID 2769568) is 1,2-bis(difluoromethoxy)benzene.
What is the SMILES notation for 1,2-bis(difluoromethoxy)benzene?
The canonical SMILES for 1,2-bis(difluoromethoxy)benzene is FC(F)Oc1ccccc1OC(F)F.
What is the InChIKey of 1,2-bis(difluoromethoxy)benzene?
The InChIKey is ITQCXTOQWOFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c9-7(10)13-5-3-1-2-4-6(5)14-8(11)12/h1-4,7-8H.
What are the key properties of 1,2-bis(difluoromethoxy)benzene?
1,2-bis(difluoromethoxy)benzene has a molecular weight of 210.13 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(difluoromethoxy)benzene is sourced from PubChem (CID 2769568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).