2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene

C20H14F4O2 — CID 139855297

IUPAC2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1cc(F)c(-c2ccc3cc(OC(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C20H14F4O2/c1-2-7-25-16-10-17(21)19(18(22)11-16)14-4-3-13-9-15(26-20(23)24)6-5-12(13)8-14/h2-6,8-11,20H,1,7H2
InChIKeyBTAJZAJNFXDHBH-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.95
Rot. Bonds6

About 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene

2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene (PubChem CID 139855297) has the molecular formula C20H14F4O2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
PubChem CID139855297
Molecular FormulaC20H14F4O2
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1cc(F)c(-c2ccc3cc(OC(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C20H14F4O2/c1-2-7-25-16-10-17(21)19(18(22)11-16)14-4-3-13-9-15(26-20(23)24)6-5-12(13)8-14/h2-6,8-11,20H,1,7H2
InChIKeyBTAJZAJNFXDHBH-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
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

2-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-6-fluoronaphthalene
CID 139854219
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856163
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139872172
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
CID 139854596
[6-(difluoromethoxy)-5,7-difluoronaphthalen-2-yl] 4-prop-2-enoxybenzoate
CID 139855341
6-[(2,6-difluoro-4-prop-2-enoxyphenyl)-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 139854100
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-1,3-difluoro-5-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 129037360
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene (CID 139855297) is 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene is C=CCOc1cc(F)c(-c2ccc3cc(OC(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene?
The InChIKey is BTAJZAJNFXDHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O2/c1-2-7-25-16-10-17(21)19(18(22)11-16)14-4-3-13-9-15(26-20(23)24)6-5-12(13)8-14/h2-6,8-11,20H,1,7H2.
What are the key properties of 2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene?
2-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene has a molecular weight of 362.32 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-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene is sourced from PubChem (CID 139855297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).