2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol

C14H4F6O2 — CID 22178277

IUPAC2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol
SMILESOc1cc2c(O)c(F)c(F)c(F)c2c2c(F)c(F)c(F)cc12
InChIInChI=1S/C14H4F6O2/c15-5-1-3-6(21)2-4-8(7(3)10(17)9(5)16)11(18)12(19)13(20)14(4)22/h1-2,21-22H
InChIKeyZUCHJBZJADKSJR-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.24
Rot. Bonds

About 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol

2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol (PubChem CID 22178277) has the molecular formula C14H4F6O2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol.

Molecular Properties

Compound Name2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol
PubChem CID22178277
Molecular FormulaC14H4F6O2
Molecular Weight318.17 g/mol
Exact Mass318.01
IUPAC Name2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol
SMILESOc1cc2c(O)c(F)c(F)c(F)c2c2c(F)c(F)c(F)cc12
InChIInChI=1S/C14H4F6O2/c15-5-1-3-6(21)2-4-8(7(3)10(17)9(5)16)11(18)12(19)13(20)14(4)22/h1-2,21-22H
InChIKeyZUCHJBZJADKSJR-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-6-methylphenol
CID 54304883
3,4,5,6,7,8-hexafluoroanthracene-1,2-diol
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CID 18457400
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409
3-tert-butyl-4,5-difluorobenzene-1,2-diol
CID 87961156
6-amino-2,3,4-trifluorophenol
CID 19957203
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
ethane;3,4,5-trifluoro-2-methylphenol
CID 155691590
CID 172801487
CID 172801487
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol?
The IUPAC name of 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol (CID 22178277) is 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol.
What is the SMILES notation for 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol?
The canonical SMILES for 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol is Oc1cc2c(O)c(F)c(F)c(F)c2c2c(F)c(F)c(F)cc12.
What is the InChIKey of 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol?
The InChIKey is ZUCHJBZJADKSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F6O2/c15-5-1-3-6(21)2-4-8(7(3)10(17)9(5)16)11(18)12(19)13(20)14(4)22/h1-2,21-22H.
What are the key properties of 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol?
2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol has a molecular weight of 318.17 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexafluorophenanthrene-1,9-diol is sourced from PubChem (CID 22178277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).