1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane

C15H24F2O — CID 20599447

IUPAC1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(CCCCCC=C(F)F)CC1
InChIInChI=1S/C15H24F2O/c1-18-12-14-10-8-13(9-11-14)6-4-2-3-5-7-15(16)17/h7,12-13H,2-6,8-11H2,1H3/b14-12-
InChIKeyKSKXVICHJWDORQ-OWBHPGMISA-N
MW258.35 g/mol
LogP5.44
Rot. Bonds7

About 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane

1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane (PubChem CID 20599447) has the molecular formula C15H24F2O and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane
PubChem CID20599447
Molecular FormulaC15H24F2O
Molecular Weight258.35 g/mol
Exact Mass258.18
IUPAC Name1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(CCCCCC=C(F)F)CC1
InChIInChI=1S/C15H24F2O/c1-18-12-14-10-8-13(9-11-14)6-4-2-3-5-7-15(16)17/h7,12-13H,2-6,8-11H2,1H3/b14-12-
InChIKeyKSKXVICHJWDORQ-OWBHPGMISA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.35
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-4-[(E)-2-methoxyethenyl]cyclohexane
CID 59581239
1-(Methoxymethylidene)-4-(trifluoromethyl)cyclohexane
CID 68212335
1,1-Difluoro-4-(2-methoxyethenyl)cyclohexane
CID 72331677
4-[4-(Methoxymethylidene)cyclohexyl]-1-(trifluoromethyl)cyclohexene
CID 89927538
1-(Methoxymethylidene)-4-[1,1,2,2-tetrafluoro-2-[4-(methoxymethylidene)cyclohexyl]ethyl]cyclohexane
CID 140148047
Ethane;4-methylpent-1-en-2-ylcyclohexane;trifluoro(methoxy)methane
CID 145504381
But-1-en-2-ylcyclohexane;ethane;trifluoro(methoxy)methane
CID 145504387
[1-Cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane
CID 174691238
[1-Cyclohexyl-2-(difluoromethoxy)ethenyl]cyclohexane
CID 174691241
2,2-Difluoro-7-(methoxymethylidene)spiro[3.5]nonane
CID 178264190
1-Methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane
CID 102010409
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane
CID 102010410

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane?
The IUPAC name of 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane (CID 20599447) is 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane.
What is the SMILES notation for 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane?
The canonical SMILES for 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane is COC=C1CCC(CCCCCC=C(F)F)CC1.
What is the InChIKey of 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane?
The InChIKey is KSKXVICHJWDORQ-OWBHPGMISA-N. The full InChI is InChI=1S/C15H24F2O/c1-18-12-14-10-8-13(9-11-14)6-4-2-3-5-7-15(16)17/h7,12-13H,2-6,8-11H2,1H3/b14-12-.
What are the key properties of 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane?
1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane has a molecular weight of 258.35 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane is sourced from PubChem (CID 20599447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).