1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene

C8H4ClF5O2 — CID 134625765

IUPAC1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
SMILESFC(F)Oc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C8H4ClF5O2/c9-4-2-1-3-5(16-8(12,13)14)6(4)15-7(10)11/h1-3,7H
InChIKeyUYDAZPPZFVXXAL-UHFFFAOYSA-N
MW262.56 g/mol
LogP3.84
Rot. Bonds3

About 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene

1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene (PubChem CID 134625765) has the molecular formula C8H4ClF5O2 and a molecular weight of 262.56 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
PubChem CID134625765
Molecular FormulaC8H4ClF5O2
Molecular Weight262.56 g/mol
Exact Mass261.98
IUPAC Name1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
SMILESFC(F)Oc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C8H4ClF5O2/c9-4-2-1-3-5(16-8(12,13)14)6(4)15-7(10)11/h1-3,7H
InChIKeyUYDAZPPZFVXXAL-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
CID 134622354
1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene
CID 54152778
3-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanoic acid
CID 134621107
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
2-chloro-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134619510
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene (CID 134625765) is 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene is FC(F)Oc1c(Cl)cccc1OC(F)(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene?
The InChIKey is UYDAZPPZFVXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5O2/c9-4-2-1-3-5(16-8(12,13)14)6(4)15-7(10)11/h1-3,7H.
What are the key properties of 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene?
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene has a molecular weight of 262.56 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 134625765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).