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

C9H5F7O2 — CID 170998726

IUPAC4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
SMILESFC(F)Oc1ccc(OC(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C9H5F7O2/c10-7(11)5-3-4(17-8(12)13)1-2-6(5)18-9(14,15)16/h1-3,7-8H
InChIKeyFAJNGNMPXVQLHP-UHFFFAOYSA-N
MW278.12 g/mol
LogP4.12
Rot. Bonds4

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

4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene (PubChem CID 170998726) has the molecular formula C9H5F7O2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
PubChem CID170998726
Molecular FormulaC9H5F7O2
Molecular Weight278.12 g/mol
Exact Mass278.02
IUPAC Name4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene
SMILESFC(F)Oc1ccc(OC(F)(F)F)c(C(F)F)c1
InChIInChI=1S/C9H5F7O2/c10-7(11)5-3-4(17-8(12)13)1-2-6(5)18-9(14,15)16/h1-3,7-8H
InChIKeyFAJNGNMPXVQLHP-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-(difluoromethoxy)-1-(trifluoromethoxy)benzene
CID 170997723
3-(difluoromethyl)-4-(trifluoromethoxy)benzenethiol
CID 170998815
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
CID 139965700
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene (CID 170998726) is 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene is FC(F)Oc1ccc(OC(F)(F)F)c(C(F)F)c1.
What is the InChIKey of 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene?
The InChIKey is FAJNGNMPXVQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O2/c10-7(11)5-3-4(17-8(12)13)1-2-6(5)18-9(14,15)16/h1-3,7-8H.
What are the key properties of 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene?
4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene has a molecular weight of 278.12 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(difluoromethyl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 170998726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).