2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene

C22H16F6O — CID 139855298

IUPAC2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H16F6O/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)21(20(15)26)29-22(27)28/h2-3,6-11,22H,4-5H2,1H3/b3-2+
InChIKeyQOGZMGZYWDSJFS-NSCUHMNNSA-N
MW410.36 g/mol
LogP7.17
Rot. Bonds6

About 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene

2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene (PubChem CID 139855298) has the molecular formula C22H16F6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
PubChem CID139855298
Molecular FormulaC22H16F6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C22H16F6O/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)21(20(15)26)29-22(27)28/h2-3,6-11,22H,4-5H2,1H3/b3-2+
InChIKeyQOGZMGZYWDSJFS-NSCUHMNNSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139855763
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
2-(2,2-difluoroethenyl)-6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoronaphthalene
CID 139855676
4-[2-[6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139874761
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855208
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875417
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]pyridine
CID 139872124
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]pyrimidine
CID 139872846
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
CID 139855442
1,2,3-trifluoro-6-[2-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]ethynyl]naphthalene
CID 139857279
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene (CID 139855298) is 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene is C/C=C/CCc1cc(F)c(-c2ccc3c(F)c(OC(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene?
The InChIKey is QOGZMGZYWDSJFS-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H16F6O/c1-2-3-4-5-12-8-16(23)19(17(24)9-12)13-6-7-15-14(10-13)11-18(25)21(20(15)26)29-22(27)28/h2-3,6-11,22H,4-5H2,1H3/b3-2+.
What are the key properties of 2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene?
2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene has a molecular weight of 410.36 g/mol, XLogP of 7.17, 6 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-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene is sourced from PubChem (CID 139855298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).