6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene

C27H32F4O2 — CID 151992446

IUPAC6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene
SMILESCOCCc1ccc(OCCCCCCCCCC(F)(F)F)c2cc3ccc(F)cc3cc12
InChIInChI=1S/C27H32F4O2/c1-32-16-13-20-10-12-26(25-18-21-9-11-23(28)17-22(21)19-24(20)25)33-15-8-6-4-2-3-5-7-14-27(29,30)31/h9-12,17-19H,2-8,13-16H2,1H3
InChIKeyUEYQZEIOPMEPMJ-UHFFFAOYSA-N
MW464.54 g/mol
LogP8.38
Rot. Bonds13

About 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene

6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene (PubChem CID 151992446) has the molecular formula C27H32F4O2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene.

Molecular Properties

Compound Name6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene
PubChem CID151992446
Molecular FormulaC27H32F4O2
Molecular Weight464.54 g/mol
Exact Mass464.23
IUPAC Name6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene
SMILESCOCCc1ccc(OCCCCCCCCCC(F)(F)F)c2cc3ccc(F)cc3cc12
InChIInChI=1S/C27H32F4O2/c1-32-16-13-20-10-12-26(25-18-21-9-11-23(28)17-22(21)19-24(20)25)33-15-8-6-4-2-3-5-7-14-27(29,30)31/h9-12,17-19H,2-8,13-16H2,1H3
InChIKeyUEYQZEIOPMEPMJ-UHFFFAOYSA-N
XLogP8.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene?
The IUPAC name of 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene (CID 151992446) is 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene.
What is the SMILES notation for 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene?
The canonical SMILES for 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene is COCCc1ccc(OCCCCCCCCCC(F)(F)F)c2cc3ccc(F)cc3cc12.
What is the InChIKey of 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene?
The InChIKey is UEYQZEIOPMEPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4O2/c1-32-16-13-20-10-12-26(25-18-21-9-11-23(28)17-22(21)19-24(20)25)33-15-8-6-4-2-3-5-7-14-27(29,30)31/h9-12,17-19H,2-8,13-16H2,1H3.
What are the key properties of 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene?
6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene has a molecular weight of 464.54 g/mol, XLogP of 8.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-methoxyethyl)-1-(10,10,10-trifluorodecoxy)anthracene is sourced from PubChem (CID 151992446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).