1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol

C13H8Cl2F4O2 — CID 159028875

IUPAC1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
SMILESFc1cccc(Cl)c1OC(F)F.Oc1c(F)cccc1Cl
InChIInChI=1S/C7H4ClF3O.C6H4ClFO/c8-4-2-1-3-5(9)6(4)12-7(10)11;7-4-2-1-3-5(8)6(4)9/h1-3,7H;1-3,9H
InChIKeyJUPUGSYLMXMVFB-UHFFFAOYSA-N
MW343.10 g/mol
LogP5.27
Rot. Bonds2

About 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol

1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol (PubChem CID 159028875) has the molecular formula C13H8Cl2F4O2 and a molecular weight of 343.10 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
PubChem CID159028875
Molecular FormulaC13H8Cl2F4O2
Molecular Weight343.10 g/mol
Exact Mass341.98
IUPAC Name1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol
SMILESFc1cccc(Cl)c1OC(F)F.Oc1c(F)cccc1Cl
InChIInChI=1S/C7H4ClF3O.C6H4ClFO/c8-4-2-1-3-5(9)6(4)12-7(10)11;7-4-2-1-3-5(8)6(4)9/h1-3,7H;1-3,9H
InChIKeyJUPUGSYLMXMVFB-UHFFFAOYSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.10
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 119024391
1,2,3-trichloro-4-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 118826152
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
CID 134619168
1-chloro-3-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 118802304
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
bis(2,6-difluorophenol);zirconium
CID 161409047
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
1-O-(2-chloro-6-fluorophenyl) 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91692765

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol (CID 159028875) is 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol is Fc1cccc(Cl)c1OC(F)F.Oc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol?
The InChIKey is JUPUGSYLMXMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O.C6H4ClFO/c8-4-2-1-3-5(9)6(4)12-7(10)11;7-4-2-1-3-5(8)6(4)9/h1-3,7H;1-3,9H.
What are the key properties of 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol?
1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol has a molecular weight of 343.10 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethoxy)-3-fluorobenzene;2-chloro-6-fluorophenol is sourced from PubChem (CID 159028875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).