2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene

C20H13F7O — CID 139855442

IUPAC2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
SMILESCCCc1cc(F)c(-c2cc(F)c3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H13F7O/c1-2-3-9-4-12(21)16(13(22)5-9)10-6-11-8-15(24)19(28-20(26)27)18(25)17(11)14(23)7-10/h4-8,20H,2-3H2,1H3
InChIKeyDCARKTAYRVFMSX-UHFFFAOYSA-N
MW402.31 g/mol
LogP6.76
Rot. Bonds5

About 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene

2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene (PubChem CID 139855442) has the molecular formula C20H13F7O and a molecular weight of 402.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
PubChem CID139855442
Molecular FormulaC20H13F7O
Molecular Weight402.31 g/mol
Exact Mass402.09
IUPAC Name2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
SMILESCCCc1cc(F)c(-c2cc(F)c3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H13F7O/c1-2-3-9-4-12(21)16(13(22)5-9)10-6-11-8-15(24)19(28-20(26)27)18(25)17(11)14(23)7-10/h4-8,20H,2-3H2,1H3
InChIKeyDCARKTAYRVFMSX-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847349
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
CID 139855298
2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
CID 139855232
6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
CID 139849915
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
1-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)naphthalene
CID 58761244
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875417
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620
1,3,8-trifluoro-6-(4-heptylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855963

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene (CID 139855442) is 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene is CCCc1cc(F)c(-c2cc(F)c3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene?
The InChIKey is DCARKTAYRVFMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F7O/c1-2-3-9-4-12(21)16(13(22)5-9)10-6-11-8-15(24)19(28-20(26)27)18(25)17(11)14(23)7-10/h4-8,20H,2-3H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene?
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene has a molecular weight of 402.31 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene is sourced from PubChem (CID 139855442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).