3-(difluoromethoxy)-2-(trifluoromethoxy)phenol

C8H5F5O3 — CID 134622354

IUPAC3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
SMILESOc1cccc(OC(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5O3/c9-7(10)15-5-3-1-2-4(14)6(5)16-8(11,12)13/h1-3,7,14H
InChIKeyDWOCACQPQPEROP-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.89
Rot. Bonds3

About 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol

3-(difluoromethoxy)-2-(trifluoromethoxy)phenol (PubChem CID 134622354) has the molecular formula C8H5F5O3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
PubChem CID134622354
Molecular FormulaC8H5F5O3
Molecular Weight244.12 g/mol
Exact Mass244.02
IUPAC Name3-(difluoromethoxy)-2-(trifluoromethoxy)phenol
SMILESOc1cccc(OC(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5O3/c9-7(10)15-5-3-1-2-4(14)6(5)16-8(11,12)13/h1-3,7,14H
InChIKeyDWOCACQPQPEROP-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
3-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propanoic acid
CID 134621107
2-chloro-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134619510
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
3-bromo-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134625148
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
CID 118807347

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol?
The IUPAC name of 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol (CID 134622354) is 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol is Oc1cccc(OC(F)F)c1OC(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol?
The InChIKey is DWOCACQPQPEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O3/c9-7(10)15-5-3-1-2-4(14)6(5)16-8(11,12)13/h1-3,7,14H.
What are the key properties of 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol?
3-(difluoromethoxy)-2-(trifluoromethoxy)phenol has a molecular weight of 244.12 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 134622354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).