3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene

C18H17F3O2 — CID 145234999

IUPAC3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene
SMILESCCOc1ccc2cc3c(cc2c1F)=C(F)C(F)C(OCC)C=3
InChIInChI=1S/C18H17F3O2/c1-3-22-14-6-5-10-7-11-8-15(23-4-2)18(21)17(20)13(11)9-12(10)16(14)19/h5-9,15,18H,3-4H2,1-2H3
InChIKeyLTNBFNVEZXTMGF-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.99
Rot. Bonds4

About 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene

3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene (PubChem CID 145234999) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene.

Molecular Properties

Compound Name3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene
PubChem CID145234999
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene
SMILESCCOc1ccc2cc3c(cc2c1F)=C(F)C(F)C(OCC)C=3
InChIInChI=1S/C18H17F3O2/c1-3-22-14-6-5-10-7-11-8-15(23-4-2)18(21)17(20)13(11)9-12(10)16(14)19/h5-9,15,18H,3-4H2,1-2H3
InChIKeyLTNBFNVEZXTMGF-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene?
The IUPAC name of 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene (CID 145234999) is 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene.
What is the SMILES notation for 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene?
The canonical SMILES for 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene is CCOc1ccc2cc3c(cc2c1F)=C(F)C(F)C(OCC)C=3.
What is the InChIKey of 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene?
The InChIKey is LTNBFNVEZXTMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O2/c1-3-22-14-6-5-10-7-11-8-15(23-4-2)18(21)17(20)13(11)9-12(10)16(14)19/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene?
3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene has a molecular weight of 322.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethoxy-1,2,8-trifluoro-2,3-dihydroanthracene is sourced from PubChem (CID 145234999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).