2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene

C27H16F6O — CID 139856163

IUPAC2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESC=CCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C27H16F6O/c1-2-9-34-19-13-23(29)26(24(30)14-19)17-6-7-20(22(28)11-17)15-5-8-21-16(10-15)3-4-18(27(21)33)12-25(31)32/h2-8,10-14H,1,9H2
InChIKeyCPLRSKPMAWIWJO-UHFFFAOYSA-N
MW470.41 g/mol
LogP8.53
Rot. Bonds6

About 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene

2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene (PubChem CID 139856163) has the molecular formula C27H16F6O and a molecular weight of 470.41 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
PubChem CID139856163
Molecular FormulaC27H16F6O
Molecular Weight470.41 g/mol
Exact Mass470.11
IUPAC Name2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESC=CCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C27H16F6O/c1-2-9-34-19-13-23(29)26(24(30)14-19)17-6-7-20(22(28)11-17)15-5-8-21-16(10-15)3-4-18(27(21)33)12-25(31)32/h2-8,10-14H,1,9H2
InChIKeyCPLRSKPMAWIWJO-UHFFFAOYSA-N
XLogP8.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856152
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
1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139874633
6-[4-(4-but-2-enoxy-2,6-difluorophenyl)-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856044
6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855989
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139855297
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139872172
4-[2-[1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139874546
6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139855704

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene (CID 139856163) is 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene is C=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-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The InChIKey is CPLRSKPMAWIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F6O/c1-2-9-34-19-13-23(29)26(24(30)14-19)17-6-7-20(22(28)11-17)15-5-8-21-16(10-15)3-4-18(27(21)33)12-25(31)32/h2-8,10-14H,1,9H2.
What are the key properties of 2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene has a molecular weight of 470.41 g/mol, XLogP of 8.53, 6 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-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139856163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).