1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane

C23H39F — CID 143266143

IUPAC1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC(C#CC1CCC(C2CCC(C)CC2)CC1)CCC(C)CCF
InChIInChI=1S/C23H39F/c1-18(4-5-20(3)16-17-24)6-9-21-10-14-23(15-11-21)22-12-7-19(2)8-13-22/h18-23H,4-5,7-8,10-17H2,1-3H3
InChIKeyAOHZMPQGKFWETQ-UHFFFAOYSA-N
MW334.56 g/mol
LogP7.03
Rot. Bonds6

About 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane

1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 143266143) has the molecular formula C23H39F and a molecular weight of 334.56 g/mol. Its IUPAC name is 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane
PubChem CID143266143
Molecular FormulaC23H39F
Molecular Weight334.56 g/mol
Exact Mass334.30
IUPAC Name1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane
SMILESCC(C#CC1CCC(C2CCC(C)CC2)CC1)CCC(C)CCF
InChIInChI=1S/C23H39F/c1-18(4-5-20(3)16-17-24)6-9-21-10-14-23(15-11-21)22-12-7-19(2)8-13-22/h18-23H,4-5,7-8,10-17H2,1-3H3
InChIKeyAOHZMPQGKFWETQ-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
CID 142427618
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
molecular hydrogen;1,2,3-trifluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;hydrate
CID 159495416
1-ethynyl-4-(4-methylcyclohexyl)cyclohexane
CID 23556447
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-[[2,7-difluoro-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]heptan-3-yl]oxymethyl]-4-methylcyclohexane
CID 129228624
1-but-3-en-1-ynyl-4-methylcyclohexane
CID 142876021
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
1-fluoro-3,5-dimethyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane
CID 143560042
4-cyclopropylbut-3-yn-2-ol
CID 118008485
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane (CID 143266143) is 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane is CC(C#CC1CCC(C2CCC(C)CC2)CC1)CCC(C)CCF.
What is the InChIKey of 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is AOHZMPQGKFWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39F/c1-18(4-5-20(3)16-17-24)6-9-21-10-14-23(15-11-21)22-12-7-19(2)8-13-22/h18-23H,4-5,7-8,10-17H2,1-3H3.
What are the key properties of 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane?
1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 334.56 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 143266143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).