1-fluoro-4-heptylcyclohexane

C13H25F — CID 71196298

IUPAC1-fluoro-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(F)CC1
InChIInChI=1S/C13H25F/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h12-13H,2-11H2,1H3
InChIKeyVQUQOZWSXQUUCN-UHFFFAOYSA-N
MW200.34 g/mol
LogP4.88
Rot. Bonds6

About 1-fluoro-4-heptylcyclohexane

1-fluoro-4-heptylcyclohexane (PubChem CID 71196298) has the molecular formula C13H25F and a molecular weight of 200.34 g/mol. Its IUPAC name is 1-fluoro-4-heptylcyclohexane.

Molecular Properties

Compound Name1-fluoro-4-heptylcyclohexane
PubChem CID71196298
Molecular FormulaC13H25F
Molecular Weight200.34 g/mol
Exact Mass200.19
IUPAC Name1-fluoro-4-heptylcyclohexane
SMILESCCCCCCCC1CCC(F)CC1
InChIInChI=1S/C13H25F/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h12-13H,2-11H2,1H3
InChIKeyVQUQOZWSXQUUCN-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-heptylcyclohexane?
The IUPAC name of 1-fluoro-4-heptylcyclohexane (CID 71196298) is 1-fluoro-4-heptylcyclohexane.
What is the SMILES notation for 1-fluoro-4-heptylcyclohexane?
The canonical SMILES for 1-fluoro-4-heptylcyclohexane is CCCCCCCC1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-heptylcyclohexane?
The InChIKey is VQUQOZWSXQUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-fluoro-4-heptylcyclohexane?
1-fluoro-4-heptylcyclohexane has a molecular weight of 200.34 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-heptylcyclohexane is sourced from PubChem (CID 71196298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).