1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene

C8H4F6O2 — CID 170836985

IUPAC1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C8H4F6O2/c9-5-3-4(16-8(12,13)14)1-2-6(5)15-7(10)11/h1-3,7H
InChIKeyJFTQAMBPFPFAQQ-UHFFFAOYSA-N
MW246.11 g/mol
LogP3.33
Rot. Bonds3

About 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene

1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene (PubChem CID 170836985) has the molecular formula C8H4F6O2 and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
PubChem CID170836985
Molecular FormulaC8H4F6O2
Molecular Weight246.11 g/mol
Exact Mass246.01
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C8H4F6O2/c9-5-3-4(16-8(12,13)14)1-2-6(5)15-7(10)11/h1-3,7H
InChIKeyJFTQAMBPFPFAQQ-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
CID 170998726
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997860
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoic acid
CID 134621137
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene (CID 170836985) is 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene is Fc1cc(OC(F)(F)F)ccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene?
The InChIKey is JFTQAMBPFPFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O2/c9-5-3-4(16-8(12,13)14)1-2-6(5)15-7(10)11/h1-3,7H.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene?
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene has a molecular weight of 246.11 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 170836985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).