2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene

C29H24F6 — CID 139854194

IUPAC2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene
SMILESC/C=C/CCC1CCC(c2c(F)c(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2F)CC1
InChIInChI=1S/C29H24F6/c1-2-3-4-5-17-6-10-19(11-7-17)25-28(34)26(32)22(27(33)29(25)35)13-9-18-8-12-20-15-23(30)24(31)16-21(20)14-18/h2-3,8,12,14-17,19H,4-7,10-11H2,1H3/b3-2+
InChIKeyDMGKWAMFGRZIQY-NSCUHMNNSA-N
MW486.50 g/mol
LogP8.70
Rot. Bonds4

About 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene

2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene (PubChem CID 139854194) has the molecular formula C29H24F6 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene
PubChem CID139854194
Molecular FormulaC29H24F6
Molecular Weight486.50 g/mol
Exact Mass486.18
IUPAC Name2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene
SMILESC/C=C/CCC1CCC(c2c(F)c(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2F)CC1
InChIInChI=1S/C29H24F6/c1-2-3-4-5-17-6-10-19(11-7-17)25-28(34)26(32)22(27(33)29(25)35)13-9-18-8-12-20-15-23(30)24(31)16-21(20)14-18/h2-3,8,12,14-17,19H,4-7,10-11H2,1H3/b3-2+
InChIKeyDMGKWAMFGRZIQY-NSCUHMNNSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]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

6-[2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858345
6-[2-[4-(4-but-3-enylcyclohexyl)-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858293
1,2,3-trifluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139858932
6-[2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858588
2-[4-[2-(3,4-difluorophenyl)ethynyl]phenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867630
2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3-fluorophenyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139858013
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
6-[2-[2,6-difluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859151
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139858514
2-[4-[2-(4-but-3-enylphenyl)ethynyl]-3,5-difluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866327
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene?
The IUPAC name of 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene (CID 139854194) is 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene.
What is the SMILES notation for 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene?
The canonical SMILES for 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene is C/C=C/CCC1CCC(c2c(F)c(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene?
The InChIKey is DMGKWAMFGRZIQY-NSCUHMNNSA-N. The full InChI is InChI=1S/C29H24F6/c1-2-3-4-5-17-6-10-19(11-7-17)25-28(34)26(32)22(27(33)29(25)35)13-9-18-8-12-20-15-23(30)24(31)16-21(20)14-18/h2-3,8,12,14-17,19H,4-7,10-11H2,1H3/b3-2+.
What are the key properties of 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene?
2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene has a molecular weight of 486.50 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[2-[2,3,5,6-tetrafluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139854194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).