1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene

C12H4F6O — CID 54083625

IUPAC1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H4F6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyMOWISAUWWYCBIW-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.31
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene

1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene (PubChem CID 54083625) has the molecular formula C12H4F6O and a molecular weight of 278.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
PubChem CID54083625
Molecular FormulaC12H4F6O
Molecular Weight278.15 g/mol
Exact Mass278.02
IUPAC Name1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C12H4F6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyMOWISAUWWYCBIW-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
CID 29052620
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
(4-fluorophenyl) hypobromite
CID 19745276
4-[3-[4-(4-carboxyphenoxy)-2,3,5,6-tetrafluorophenyl]-2,4,5,6-tetrafluorophenoxy]benzoic acid
CID 139971372
1-N,4-N-diphenyl-1-N,4-N-bis[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]benzene-1,4-diamine
CID 138724935
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
CID 175999058
2,3,5,6-tetrafluoro-4-[4-(fluoromethyl)phenoxy]benzenethiol
CID 144560588
2,6-bis[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]benzonitrile
CID 58185886

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene (CID 54083625) is 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene is Fc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene?
The InChIKey is MOWISAUWWYCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene?
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene has a molecular weight of 278.15 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene is sourced from PubChem (CID 54083625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).