1-(fluoromethoxy)-4-heptylcyclohexane

C14H27FO — CID 58719076

IUPAC1-(fluoromethoxy)-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(OCF)CC1
InChIInChI=1S/C14H27FO/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)16-12-15/h13-14H,2-12H2,1H3
InChIKeyUSVHCDFYAKUDPY-UHFFFAOYSA-N
MW230.37 g/mol
LogP4.85
Rot. Bonds8

About 1-(fluoromethoxy)-4-heptylcyclohexane

1-(fluoromethoxy)-4-heptylcyclohexane (PubChem CID 58719076) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-heptylcyclohexane.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-heptylcyclohexane
PubChem CID58719076
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name1-(fluoromethoxy)-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(OCF)CC1
InChIInChI=1S/C14H27FO/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)16-12-15/h13-14H,2-12H2,1H3
InChIKeyUSVHCDFYAKUDPY-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(fluoromethoxy)-4-heptylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-heptylcyclohexane?
The IUPAC name of 1-(fluoromethoxy)-4-heptylcyclohexane (CID 58719076) is 1-(fluoromethoxy)-4-heptylcyclohexane.
What is the SMILES notation for 1-(fluoromethoxy)-4-heptylcyclohexane?
The canonical SMILES for 1-(fluoromethoxy)-4-heptylcyclohexane is CCCCCCCC1CCC(OCF)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-heptylcyclohexane?
The InChIKey is USVHCDFYAKUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)16-12-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-heptylcyclohexane?
1-(fluoromethoxy)-4-heptylcyclohexane has a molecular weight of 230.37 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-heptylcyclohexane is sourced from PubChem (CID 58719076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).