2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene

C23H19F5O — CID 139855208

IUPAC2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H19F5O/c1-2-3-4-5-15-10-20(24)22(21(25)11-15)18-7-6-17-13-19(9-8-16(17)12-18)29-14-23(26,27)28/h2-3,6-13H,4-5,14H2,1H3/b3-2+
InChIKeyIWXAUZWIEXKPCR-NSCUHMNNSA-N
MW406.39 g/mol
LogP7.23
Rot. Bonds6

About 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene

2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139855208) has the molecular formula C23H19F5O and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139855208
Molecular FormulaC23H19F5O
Molecular Weight406.39 g/mol
Exact Mass406.14
IUPAC Name2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESC/C=C/CCc1cc(F)c(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H19F5O/c1-2-3-4-5-15-10-20(24)22(21(25)11-15)18-7-6-17-13-19(9-8-16(17)12-18)29-14-23(26,27)28/h2-3,6-13H,4-5,14H2,1H3/b3-2+
InChIKeyIWXAUZWIEXKPCR-NSCUHMNNSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 57.23
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

2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855856
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139855763
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873466
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873036
2-(difluoromethoxy)-6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoronaphthalene
CID 139855298
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139875685
2-[2-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 90180081
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-4-[(E)-pent-3-enyl]pyrimidine
CID 139875614

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene (CID 139855208) is 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene is C/C=C/CCc1cc(F)c(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is IWXAUZWIEXKPCR-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H19F5O/c1-2-3-4-5-15-10-20(24)22(21(25)11-15)18-7-6-17-13-19(9-8-16(17)12-18)29-14-23(26,27)28/h2-3,6-13H,4-5,14H2,1H3/b3-2+.
What are the key properties of 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 406.39 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139855208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).