(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite

C14HF9O2 — CID 87916834

IUPAC(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite
SMILESOc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(OF)c12
InChIInChI=1S/C14HF9O2/c15-5-1-2-3(7(17)10(20)12(22)14(2)25-23)6(16)8(18)4(1)13(24)11(21)9(5)19/h24H
InChIKeyCLNWKNYEFWQBTP-UHFFFAOYSA-N
MW372.14 g/mol
LogP5.07
Rot. Bonds1

About (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite

(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite (PubChem CID 87916834) has the molecular formula C14HF9O2 and a molecular weight of 372.14 g/mol. Its IUPAC name is (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite.

Molecular Properties

Compound Name(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite
PubChem CID87916834
Molecular FormulaC14HF9O2
Molecular Weight372.14 g/mol
Exact Mass371.98
IUPAC Name(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite
SMILESOc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(OF)c12
InChIInChI=1S/C14HF9O2/c15-5-1-2-3(7(17)10(20)12(22)14(2)25-23)6(16)8(18)4(1)13(24)11(21)9(5)19/h24H
InChIKeyCLNWKNYEFWQBTP-UHFFFAOYSA-N
XLogP5.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.14
LogP ≤ 55.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite?
The IUPAC name of (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite (CID 87916834) is (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite.
What is the SMILES notation for (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite?
The canonical SMILES for (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite is Oc1c(F)c(F)c(F)c2c1c(F)c(F)c1c(F)c(F)c(F)c(OF)c12.
What is the InChIKey of (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite?
The InChIKey is CLNWKNYEFWQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14HF9O2/c15-5-1-2-3(7(17)10(20)12(22)14(2)25-23)6(16)8(18)4(1)13(24)11(21)9(5)19/h24H.
What are the key properties of (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite?
(1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite has a molecular weight of 372.14 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,5,6,7,9,10-octafluoro-8-hydroxyphenanthren-4-yl) hypofluorite is sourced from PubChem (CID 87916834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).