1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane

C18H33F — CID 18533814

IUPAC1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CF)CC2)CC1
InChIInChI=1S/C18H33F/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-14H2,1H3
InChIKeyVOQSUQISYSKHSY-UHFFFAOYSA-N
MW268.46 g/mol
LogP6.15
Rot. Bonds6

About 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane

1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 18533814) has the molecular formula C18H33F and a molecular weight of 268.46 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID18533814
Molecular FormulaC18H33F
Molecular Weight268.46 g/mol
Exact Mass268.26
IUPAC Name1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(CF)CC2)CC1
InChIInChI=1S/C18H33F/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-14H2,1H3
InChIKeyVOQSUQISYSKHSY-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.46
LogP ≤ 56.15
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-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-heptylcyclohexyl)cyclohexane
CID 54105459
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-[4-(3-fluoropropyl)cyclohexyl]-4-[2-(4-hexylcyclohexyl)ethyl]cyclohexane
CID 19352474
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane (CID 18533814) is 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(CF)CC2)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is VOQSUQISYSKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-14H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane?
1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 268.46 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 18533814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).