1-[difluoro(methoxy)methyl]-4-heptylcyclohexane

C15H28F2O — CID 58719065

IUPAC1-[difluoro(methoxy)methyl]-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C15H28F2O/c1-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16,17)18-2/h13-14H,3-12H2,1-2H3
InChIKeyIUKQKVHDRDAFGT-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.39
Rot. Bonds8

About 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane

1-[difluoro(methoxy)methyl]-4-heptylcyclohexane (PubChem CID 58719065) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-heptylcyclohexane
PubChem CID58719065
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name1-[difluoro(methoxy)methyl]-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C15H28F2O/c1-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16,17)18-2/h13-14H,3-12H2,1-2H3
InChIKeyIUKQKVHDRDAFGT-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane (CID 58719065) is 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane is CCCCCCCC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane?
The InChIKey is IUKQKVHDRDAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O/c1-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16,17)18-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane?
1-[difluoro(methoxy)methyl]-4-heptylcyclohexane has a molecular weight of 262.38 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-heptylcyclohexane is sourced from PubChem (CID 58719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).