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

C23H20F4O — CID 139855856

IUPAC2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESC/C=C/CCc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F4O/c1-2-3-4-5-16-6-11-21(22(24)12-16)19-8-7-18-14-20(10-9-17(18)13-19)28-15-23(25,26)27/h2-3,6-14H,4-5,15H2,1H3/b3-2+
InChIKeyOOJYINKFAJGFIG-NSCUHMNNSA-N
MW388.40 g/mol
LogP7.10
Rot. Bonds6

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

2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139855856) has the molecular formula C23H20F4O and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139855856
Molecular FormulaC23H20F4O
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESC/C=C/CCc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H20F4O/c1-2-3-4-5-16-6-11-21(22(24)12-16)19-8-7-18-14-20(10-9-17(18)13-19)28-15-23(25,26)27/h2-3,6-14H,4-5,15H2,1H3/b3-2+
InChIKeyOOJYINKFAJGFIG-NSCUHMNNSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 57.10
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-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855208
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
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871419
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872752
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247240
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
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-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861883

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene (CID 139855856) is 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene is C/C=C/CCc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is OOJYINKFAJGFIG-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H20F4O/c1-2-3-4-5-16-6-11-21(22(24)12-16)19-8-7-18-14-20(10-9-17(18)13-19)28-15-23(25,26)27/h2-3,6-14H,4-5,15H2,1H3/b3-2+.
What are the key properties of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene?
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 388.40 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139855856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).