2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one

C29H20F4O3 — CID 23545252

IUPAC2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one
SMILESCCOc1ccc(-c2ccc(-c3ccc4c(c3F)C(=O)c3c-4ccc(OCC)c3F)cc2)c(F)c1F
InChIInChI=1S/C29H20F4O3/c1-3-35-21-14-12-20-19-10-9-17(25(30)23(19)29(34)24(20)27(21)32)15-5-7-16(8-6-15)18-11-13-22(36-4-2)28(33)26(18)31/h5-14H,3-4H2,1-2H3
InChIKeyAFDQQRCHLLESRF-UHFFFAOYSA-N
MW492.47 g/mol
LogP7.59
Rot. Bonds6

About 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one

2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one (PubChem CID 23545252) has the molecular formula C29H20F4O3 and a molecular weight of 492.47 g/mol. Its IUPAC name is 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one.

Molecular Properties

Compound Name2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one
PubChem CID23545252
Molecular FormulaC29H20F4O3
Molecular Weight492.47 g/mol
Exact Mass492.13
IUPAC Name2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one
SMILESCCOc1ccc(-c2ccc(-c3ccc4c(c3F)C(=O)c3c-4ccc(OCC)c3F)cc2)c(F)c1F
InChIInChI=1S/C29H20F4O3/c1-3-35-21-14-12-20-19-10-9-17(25(30)23(19)29(34)24(20)27(21)32)15-5-7-16(8-6-15)18-11-13-22(36-4-2)28(33)26(18)31/h5-14H,3-4H2,1-2H3
InChIKeyAFDQQRCHLLESRF-UHFFFAOYSA-N
XLogP7.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-{[3-(Trifluoromethyl)benzyl]oxy}-3,4-dihydronaphthalen-1(2H)-one (4n)
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7-{[4-(Trifluoromethyl)benzyl]oxy}-3,4-dihydronaphthalen-1(2H)-one (4o)
CID 118704653
(E)-1-(3-ethoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
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CID 145976748
3-[2-Fluoro-4-(trifluoromethyl)phenyl]benzo[f]chromen-1-one
CID 145981039
(2Z)-5-methoxy-2-[[2-(4-methoxyphenyl)phenyl]methylidene]-3H-inden-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one?
The IUPAC name of 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one (CID 23545252) is 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one.
What is the SMILES notation for 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one?
The canonical SMILES for 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one is CCOc1ccc(-c2ccc(-c3ccc4c(c3F)C(=O)c3c-4ccc(OCC)c3F)cc2)c(F)c1F.
What is the InChIKey of 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one?
The InChIKey is AFDQQRCHLLESRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F4O3/c1-3-35-21-14-12-20-19-10-9-17(25(30)23(19)29(34)24(20)27(21)32)15-5-7-16(8-6-15)18-11-13-22(36-4-2)28(33)26(18)31/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one?
2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one has a molecular weight of 492.47 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8-difluorofluoren-9-one is sourced from PubChem (CID 23545252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).