1-fluoro-4-(4-tridecylcyclohexyl)benzene

C25H41F — CID 20560903

IUPAC1-fluoro-4-(4-tridecylcyclohexyl)benzene
SMILESCCCCCCCCCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H41F/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(26)21-19-24/h18-23H,2-17H2,1H3
InChIKeyKDTCLVQULHSGMA-UHFFFAOYSA-N
MW360.60 g/mol
LogP8.80
Rot. Bonds13

About 1-fluoro-4-(4-tridecylcyclohexyl)benzene

1-fluoro-4-(4-tridecylcyclohexyl)benzene (PubChem CID 20560903) has the molecular formula C25H41F and a molecular weight of 360.60 g/mol. Its IUPAC name is 1-fluoro-4-(4-tridecylcyclohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-tridecylcyclohexyl)benzene
PubChem CID20560903
Molecular FormulaC25H41F
Molecular Weight360.60 g/mol
Exact Mass360.32
IUPAC Name1-fluoro-4-(4-tridecylcyclohexyl)benzene
SMILESCCCCCCCCCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H41F/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(26)21-19-24/h18-23H,2-17H2,1H3
InChIKeyKDTCLVQULHSGMA-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.60
LogP ≤ 58.80
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-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
CID 2189527
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
CID 18650826
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-fluoro-4-[[4-(4-pentylcyclohexyl)phenyl]sulfanylmethyl]benzene
CID 70536793
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-tridecylcyclohexyl)benzene?
The IUPAC name of 1-fluoro-4-(4-tridecylcyclohexyl)benzene (CID 20560903) is 1-fluoro-4-(4-tridecylcyclohexyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-tridecylcyclohexyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-tridecylcyclohexyl)benzene is CCCCCCCCCCCCCC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-(4-tridecylcyclohexyl)benzene?
The InChIKey is KDTCLVQULHSGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41F/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(26)21-19-24/h18-23H,2-17H2,1H3.
What are the key properties of 1-fluoro-4-(4-tridecylcyclohexyl)benzene?
1-fluoro-4-(4-tridecylcyclohexyl)benzene has a molecular weight of 360.60 g/mol, XLogP of 8.80, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-tridecylcyclohexyl)benzene is sourced from PubChem (CID 20560903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).