2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene

C24H14F6O2 — CID 139855704

IUPAC2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(OC(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H14F6O2/c1-31-15-10-19(26)22(20(27)11-15)14-3-5-16(18(25)9-14)12-2-6-17-13(8-12)4-7-21(23(17)28)32-24(29)30/h2-11,24H,1H3
InChIKeySYGBVZCIFZGHAZ-UHFFFAOYSA-N
MW448.36 g/mol
LogP7.34
Rot. Bonds5

About 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene

2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene (PubChem CID 139855704) has the molecular formula C24H14F6O2 and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
PubChem CID139855704
Molecular FormulaC24H14F6O2
Molecular Weight448.36 g/mol
Exact Mass448.09
IUPAC Name2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
SMILESCOc1cc(F)c(-c2ccc(-c3ccc4c(F)c(OC(F)F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H14F6O2/c1-31-15-10-19(26)22(20(27)11-15)14-3-5-16(18(25)9-14)12-2-6-17-13(8-12)4-7-21(23(17)28)32-24(29)30/h2-11,24H,1H3
InChIKeySYGBVZCIFZGHAZ-UHFFFAOYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855989
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
2-(2,2-difluoroethenyl)-6-[4-(4-ethoxy-2,6-difluorophenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856152
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139870997
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
2-(difluoromethoxy)-1-fluoro-6-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]naphthalene
CID 139855353
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856163
6-(2,6-difluoro-4-hexoxyphenyl)-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139870950
6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856403

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene (CID 139855704) is 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene is COc1cc(F)c(-c2ccc(-c3ccc4c(F)c(OC(F)F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
The InChIKey is SYGBVZCIFZGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6O2/c1-31-15-10-19(26)22(20(27)11-15)14-3-5-16(18(25)9-14)12-2-6-17-13(8-12)4-7-21(23(17)28)32-24(29)30/h2-11,24H,1H3.
What are the key properties of 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene?
2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene has a molecular weight of 448.36 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139855704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).