1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene

C26H30F2O — CID 18997901

IUPAC1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene
SMILESCOC=C1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C26H30F2O/c1-29-17-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-25(27)26(28)16-24/h10-17,19-21H,2-9H2,1H3/b18-17-
InChIKeyARSDLXLLGBQPNA-ZCXUNETKSA-N
MW396.52 g/mol
LogP7.63
Rot. Bonds4

About 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene (PubChem CID 18997901) has the molecular formula C26H30F2O and a molecular weight of 396.52 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene
PubChem CID18997901
Molecular FormulaC26H30F2O
Molecular Weight396.52 g/mol
Exact Mass396.23
IUPAC Name1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene
SMILESCOC=C1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C26H30F2O/c1-29-17-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-25(27)26(28)16-24/h10-17,19-21H,2-9H2,1H3/b18-17-
InChIKeyARSDLXLLGBQPNA-ZCXUNETKSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene (CID 18997901) is 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene is COC=C1CCC(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene?
The InChIKey is ARSDLXLLGBQPNA-ZCXUNETKSA-N. The full InChI is InChI=1S/C26H30F2O/c1-29-17-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-25(27)26(28)16-24/h10-17,19-21H,2-9H2,1H3/b18-17-.
What are the key properties of 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene?
1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene has a molecular weight of 396.52 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-[4-(methoxymethylidene)cyclohexyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 18997901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).