1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene

C27H19F5O — CID 139874633

IUPAC1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
SMILESC=CCOc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F5O/c1-2-11-33-20-8-10-21(23(28)15-20)18-7-9-22-19(14-18)6-5-17(26(22)31)4-3-16-12-24(29)27(32)25(30)13-16/h2,5-10,12-15H,1,3-4,11H2
InChIKeyWHZJZIKZQJGGEC-UHFFFAOYSA-N
MW454.44 g/mol
LogP7.55
Rot. Bonds7

About 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene

1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene (PubChem CID 139874633) has the molecular formula C27H19F5O and a molecular weight of 454.44 g/mol. Its IUPAC name is 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
PubChem CID139874633
Molecular FormulaC27H19F5O
Molecular Weight454.44 g/mol
Exact Mass454.14
IUPAC Name1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
SMILESC=CCOc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F5O/c1-2-11-33-20-8-10-21(23(28)15-20)18-7-9-22-19(14-18)6-5-17(26(22)31)4-3-16-12-24(29)27(32)25(30)13-16/h2,5-10,12-15H,1,3-4,11H2
InChIKeyWHZJZIKZQJGGEC-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
4-[2-[1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139874546
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873269
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139870749
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872752
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873746
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139872172
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-[2-(4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139874139
6-(4-but-3-enyl-2-fluorophenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139875167
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139871625
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyrimidine
CID 139873277
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139872621

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene (CID 139874633) is 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene is C=CCOc1ccc(-c2ccc3c(F)c(CCc4cc(F)c(F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
The InChIKey is WHZJZIKZQJGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F5O/c1-2-11-33-20-8-10-21(23(28)15-20)18-7-9-22-19(14-18)6-5-17(26(22)31)4-3-16-12-24(29)27(32)25(30)13-16/h2,5-10,12-15H,1,3-4,11H2.
What are the key properties of 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene?
1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene has a molecular weight of 454.44 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 139874633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).