1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol

C14H3F9O2 — CID 87916942

IUPAC1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol
SMILESOC1C(F)=C(F)c2c(c(F)c3c(F)c(F)c(F)c(F)c3c2F)C1(O)F
InChIInChI=1S/C14H3F9O2/c15-5-1-2(8(18)11(21)10(20)7(1)17)6(16)4-3(5)9(19)12(22)13(24)14(4,23)25/h13,24-25H
InChIKeyUKVYWPAHUDLDEN-UHFFFAOYSA-N
MW374.16 g/mol
LogP3.77
Rot. Bonds

About 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol

1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol (PubChem CID 87916942) has the molecular formula C14H3F9O2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol.

Molecular Properties

Compound Name1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol
PubChem CID87916942
Molecular FormulaC14H3F9O2
Molecular Weight374.16 g/mol
Exact Mass374.00
IUPAC Name1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol
SMILESOC1C(F)=C(F)c2c(c(F)c3c(F)c(F)c(F)c(F)c3c2F)C1(O)F
InChIInChI=1S/C14H3F9O2/c15-5-1-2(8(18)11(21)10(20)7(1)17)6(16)4-3(5)9(19)12(22)13(24)14(4,23)25/h13,24-25H
InChIKeyUKVYWPAHUDLDEN-UHFFFAOYSA-N
XLogP3.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol?
The IUPAC name of 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol (CID 87916942) is 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol.
What is the SMILES notation for 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol?
The canonical SMILES for 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol is OC1C(F)=C(F)c2c(c(F)c3c(F)c(F)c(F)c(F)c3c2F)C1(O)F.
What is the InChIKey of 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol?
The InChIKey is UKVYWPAHUDLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3F9O2/c15-5-1-2(8(18)11(21)10(20)7(1)17)6(16)4-3(5)9(19)12(22)13(24)14(4,23)25/h13,24-25H.
What are the key properties of 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol?
1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol has a molecular weight of 374.16 g/mol, XLogP of 3.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracene-1,2-diol is sourced from PubChem (CID 87916942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).