6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene

C20H11F7O2 — CID 139854100

IUPAC6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
SMILESC=CCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H11F7O2/c1-2-5-28-12-8-14(21)17(15(22)9-12)20(26,27)29-11-3-4-13-10(6-11)7-16(23)19(25)18(13)24/h2-4,6-9H,1,5H2
InChIKeyZLEMLSXENGOQNQ-UHFFFAOYSA-N
MW416.29 g/mol
LogP6.23
Rot. Bonds6

About 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene

6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene (PubChem CID 139854100) has the molecular formula C20H11F7O2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
PubChem CID139854100
Molecular FormulaC20H11F7O2
Molecular Weight416.29 g/mol
Exact Mass416.06
IUPAC Name6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
SMILESC=CCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H11F7O2/c1-2-5-28-12-8-14(21)17(15(22)9-12)20(26,27)29-11-3-4-13-10(6-11)7-16(23)19(25)18(13)24/h2-4,6-9H,1,5H2
InChIKeyZLEMLSXENGOQNQ-UHFFFAOYSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
CID 139854219
1,2,3-trifluoro-6-[2-[4-[2-(4-prop-2-enoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857257
6-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 134554735
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-[4-(4-prop-2-enoxyphenyl)phenyl]ethynyl]benzene
CID 129037412
2-[[4-[2-[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenyl]ethynyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-prop-2-enoxybenzene
CID 129036450
6-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856566
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 129037360
6-[2-[4-[2-(2,6-difluoro-4-prop-2-enoxyphenyl)ethynyl]-2-fluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139858896
6-[2-[2,6-difluoro-4-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]phenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139859616
[6-(2,2-difluoroethenyl)-5,7-difluoronaphthalen-2-yl] 2,6-difluoro-4-prop-2-enoxybenzoate
CID 139856559
6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 160686905

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene (CID 139854100) is 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene is C=CCOc1cc(F)c(C(F)(F)Oc2ccc3c(F)c(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene?
The InChIKey is ZLEMLSXENGOQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7O2/c1-2-5-28-12-8-14(21)17(15(22)9-12)20(26,27)29-11-3-4-13-10(6-11)7-16(23)19(25)18(13)24/h2-4,6-9H,1,5H2.
What are the key properties of 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene?
6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene has a molecular weight of 416.29 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 139854100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).