2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene

C20H13F5O2 — CID 139854219

IUPAC2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
SMILESC=CCOc1cc(F)c(C(F)(F)Oc2ccc3cc(F)ccc3c2)c(F)c1
InChIInChI=1S/C20H13F5O2/c1-2-7-26-16-10-17(22)19(18(23)11-16)20(24,25)27-15-6-4-12-8-14(21)5-3-13(12)9-15/h2-6,8-11H,1,7H2
InChIKeyVUJRHRUNGHDHAU-UHFFFAOYSA-N
MW380.31 g/mol
LogP5.95
Rot. Bonds6

About 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene

2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene (PubChem CID 139854219) has the molecular formula C20H13F5O2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene.

Molecular Properties

Compound Name2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
PubChem CID139854219
Molecular FormulaC20H13F5O2
Molecular Weight380.31 g/mol
Exact Mass380.08
IUPAC Name2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
SMILESC=CCOc1cc(F)c(C(F)(F)Oc2ccc3cc(F)ccc3c2)c(F)c1
InChIInChI=1S/C20H13F5O2/c1-2-7-26-16-10-17(22)19(18(23)11-16)20(24,25)27-15-6-4-12-8-14(21)5-3-13(12)9-15/h2-6,8-11H,1,7H2
InChIKeyVUJRHRUNGHDHAU-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 139854100
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
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-[4-(4-prop-2-enoxyphenyl)phenyl]ethynyl]benzene
CID 129037412
2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139855297
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-[(4-ethoxy-2,6-difluorophenyl)-difluoromethoxy]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139856566
2-fluoro-6-[2-[4-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857630
2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
CID 139854596
4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]benzenethiol
CID 134374860
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-[2-fluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]ethynyl]benzene
CID 129036251
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
2-fluoro-4-prop-2-enoxyphenol
CID 169297964

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene?
The IUPAC name of 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene (CID 139854219) is 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene.
What is the SMILES notation for 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene?
The canonical SMILES for 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene is C=CCOc1cc(F)c(C(F)(F)Oc2ccc3cc(F)ccc3c2)c(F)c1.
What is the InChIKey of 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene?
The InChIKey is VUJRHRUNGHDHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5O2/c1-2-7-26-16-10-17(22)19(18(23)11-16)20(24,25)27-15-6-4-12-8-14(21)5-3-13(12)9-15/h2-6,8-11H,1,7H2.
What are the key properties of 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene?
2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene has a molecular weight of 380.31 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene is sourced from PubChem (CID 139854219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).