2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene

C26H16F6O — CID 139856152

IUPAC2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESCCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C26H16F6O/c1-2-33-18-12-22(28)25(23(29)13-18)16-6-7-19(21(27)10-16)14-5-8-20-15(9-14)3-4-17(26(20)32)11-24(30)31/h3-13H,2H2,1H3
InChIKeyQMFRESMLCJLBEC-UHFFFAOYSA-N
MW458.40 g/mol
LogP8.37
Rot. Bonds5

About 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene

2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene (PubChem CID 139856152) has the molecular formula C26H16F6O and a molecular weight of 458.40 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
PubChem CID139856152
Molecular FormulaC26H16F6O
Molecular Weight458.40 g/mol
Exact Mass458.11
IUPAC Name2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESCCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C26H16F6O/c1-2-33-18-12-22(28)25(23(29)13-18)16-6-7-19(21(27)10-16)14-5-8-20-15(9-14)3-4-17(26(20)32)11-24(30)31/h3-13H,2H2,1H3
InChIKeyQMFRESMLCJLBEC-UHFFFAOYSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856163
6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855989
2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
CID 139855676
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-6-(4-ethoxy-2,6-difluorophenyl)-1-fluoronaphthalene
CID 139874921
2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139855704
6-[4-(4-but-2-enoxy-2,6-difluorophenyl)-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856044
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene (CID 139856152) is 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene is CCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The InChIKey is QMFRESMLCJLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6O/c1-2-33-18-12-22(28)25(23(29)13-18)16-6-7-19(21(27)10-16)14-5-8-20-15(9-14)3-4-17(26(20)32)11-24(30)31/h3-13H,2H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene?
2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene has a molecular weight of 458.40 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139856152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).