1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane

C15H29FO — CID 130316064

IUPAC1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane
SMILESCCCC(CCCOCF)C1CCC(C)CC1
InChIInChI=1S/C15H29FO/c1-3-5-14(6-4-11-17-12-16)15-9-7-13(2)8-10-15/h13-15H,3-12H2,1-2H3
InChIKeyIPPRUVFLAYPMOK-UHFFFAOYSA-N
MW244.39 g/mol
LogP4.95
Rot. Bonds8

About 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane

1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane (PubChem CID 130316064) has the molecular formula C15H29FO and a molecular weight of 244.39 g/mol. Its IUPAC name is 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane
PubChem CID130316064
Molecular FormulaC15H29FO
Molecular Weight244.39 g/mol
Exact Mass244.22
IUPAC Name1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane
SMILESCCCC(CCCOCF)C1CCC(C)CC1
InChIInChI=1S/C15H29FO/c1-3-5-14(6-4-11-17-12-16)15-9-7-13(2)8-10-15/h13-15H,3-12H2,1-2H3
InChIKeyIPPRUVFLAYPMOK-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 54.95
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-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane?
The IUPAC name of 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane (CID 130316064) is 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane.
What is the SMILES notation for 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane?
The canonical SMILES for 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane is CCCC(CCCOCF)C1CCC(C)CC1.
What is the InChIKey of 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane?
The InChIKey is IPPRUVFLAYPMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO/c1-3-5-14(6-4-11-17-12-16)15-9-7-13(2)8-10-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane?
1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane has a molecular weight of 244.39 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethoxy)heptan-4-yl]-4-methylcyclohexane is sourced from PubChem (CID 130316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).