1,1,2,2,3,4-hexafluoroanthracene

C14H6F6 — CID 87845113

IUPAC1,1,2,2,3,4-hexafluoroanthracene
SMILESFC1=C(F)C(F)(F)C(F)(F)c2cc3ccccc3cc21
InChIInChI=1S/C14H6F6/c15-11-9-5-7-3-1-2-4-8(7)6-10(9)13(17,18)14(19,20)12(11)16/h1-6H
InChIKeyXFFPNHJQRAFORX-UHFFFAOYSA-N
MW288.19 g/mol
LogP5.19
Rot. Bonds

About 1,1,2,2,3,4-hexafluoroanthracene

1,1,2,2,3,4-hexafluoroanthracene (PubChem CID 87845113) has the molecular formula C14H6F6 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoroanthracene.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoroanthracene
PubChem CID87845113
Molecular FormulaC14H6F6
Molecular Weight288.19 g/mol
Exact Mass288.04
IUPAC Name1,1,2,2,3,4-hexafluoroanthracene
SMILESFC1=C(F)C(F)(F)C(F)(F)c2cc3ccccc3cc21
InChIInChI=1S/C14H6F6/c15-11-9-5-7-3-1-2-4-8(7)6-10(9)13(17,18)14(19,20)12(11)16/h1-6H
InChIKeyXFFPNHJQRAFORX-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.19
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
13,13-difluoropentacen-6-one;pentacene-6,13-dione;6,6,13,13-tetrafluoropentacene
CID 159342266
6,13-difluoropentacene;6,6,13,13-tetrafluoropentacene
CID 158708056
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
benzo[b]fluorene-11,11-diamine
CID 126521944
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane;ethene;methane;bis(prop-1-ene)
CID 145137691
ethane;pentacene-6,13-dione
CID 91293848
CID 140845137
CID 140845137
ethane;pentacene
CID 91470616
anthracene;ethane;naphthalene
CID 159079166

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4-hexafluoroanthracene?
The IUPAC name of 1,1,2,2,3,4-hexafluoroanthracene (CID 87845113) is 1,1,2,2,3,4-hexafluoroanthracene.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoroanthracene?
The canonical SMILES for 1,1,2,2,3,4-hexafluoroanthracene is FC1=C(F)C(F)(F)C(F)(F)c2cc3ccccc3cc21.
What is the InChIKey of 1,1,2,2,3,4-hexafluoroanthracene?
The InChIKey is XFFPNHJQRAFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6/c15-11-9-5-7-3-1-2-4-8(7)6-10(9)13(17,18)14(19,20)12(11)16/h1-6H.
What are the key properties of 1,1,2,2,3,4-hexafluoroanthracene?
1,1,2,2,3,4-hexafluoroanthracene has a molecular weight of 288.19 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexafluoroanthracene is sourced from PubChem (CID 87845113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).