6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene

C26H24F2O — CID 139859373

IUPAC6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene
SMILESCOCC1CCC(c2ccc(C#Cc3cccc4cc(F)c(F)cc34)cc2)CC1
InChIInChI=1S/C26H24F2O/c1-29-17-19-8-12-21(13-9-19)20-10-5-18(6-11-20)7-14-22-3-2-4-23-15-25(27)26(28)16-24(22)23/h2-6,10-11,15-16,19,21H,8-9,12-13,17H2,1H3
InChIKeySUEFOEWLUYZBCW-UHFFFAOYSA-N
MW390.47 g/mol
LogP6.44
Rot. Bonds3

About 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene

6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene (PubChem CID 139859373) has the molecular formula C26H24F2O and a molecular weight of 390.47 g/mol. Its IUPAC name is 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene
PubChem CID139859373
Molecular FormulaC26H24F2O
Molecular Weight390.47 g/mol
Exact Mass390.18
IUPAC Name6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene
SMILESCOCC1CCC(c2ccc(C#Cc3cccc4cc(F)c(F)cc34)cc2)CC1
InChIInChI=1S/C26H24F2O/c1-29-17-19-8-12-21(13-9-19)20-10-5-18(6-11-20)7-14-22-3-2-4-23-15-25(27)26(28)16-24(22)23/h2-6,10-11,15-16,19,21H,8-9,12-13,17H2,1H3
InChIKeySUEFOEWLUYZBCW-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2,6-difluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859151
1,2-difluoro-6-[2-[2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]phenyl]ethynyl]naphthalene
CID 139859357
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
CID 14365891
1,2-difluoro-4-[2-[4-(4-prop-2-enylcyclohexyl)phenyl]ethynyl]benzene
CID 70386944
1,2,3-trifluoro-6-[2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139858278
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
1-[2-(4-chloro-2-fluorophenyl)ethynyl]-6-(4-prop-2-enylcyclohexyl)naphthalene
CID 139850878
1-[2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]ethynyl]naphthalene
CID 18411092
1,2-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 22089477
1-fluoro-6-methyl-2-[2-[4-(4-prop-2-enylcyclohexyl)phenyl]ethynyl]naphthalene
CID 139877377
4-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-2-fluorobenzonitrile
CID 70382865

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene?
The IUPAC name of 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene (CID 139859373) is 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene.
What is the SMILES notation for 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene?
The canonical SMILES for 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene is COCC1CCC(c2ccc(C#Cc3cccc4cc(F)c(F)cc34)cc2)CC1.
What is the InChIKey of 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene?
The InChIKey is SUEFOEWLUYZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2O/c1-29-17-19-8-12-21(13-9-19)20-10-5-18(6-11-20)7-14-22-3-2-4-23-15-25(27)26(28)16-24(22)23/h2-6,10-11,15-16,19,21H,8-9,12-13,17H2,1H3.
What are the key properties of 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene?
6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene has a molecular weight of 390.47 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-[2-[4-[4-(methoxymethyl)cyclohexyl]phenyl]ethynyl]naphthalene is sourced from PubChem (CID 139859373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).