1-(4-fluorocyclohexyl)-4-heptylbenzene

C19H29F — CID 22123877

IUPAC1-(4-fluorocyclohexyl)-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C19H29F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-11,18-19H,2-7,12-15H2,1H3
InChIKeyYLDHYBBVKYYYOK-UHFFFAOYSA-N
MW276.44 g/mol
LogP6.20
Rot. Bonds7

About 1-(4-fluorocyclohexyl)-4-heptylbenzene

1-(4-fluorocyclohexyl)-4-heptylbenzene (PubChem CID 22123877) has the molecular formula C19H29F and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-heptylbenzene.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-heptylbenzene
PubChem CID22123877
Molecular FormulaC19H29F
Molecular Weight276.44 g/mol
Exact Mass276.23
IUPAC Name1-(4-fluorocyclohexyl)-4-heptylbenzene
SMILESCCCCCCCc1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C19H29F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-11,18-19H,2-7,12-15H2,1H3
InChIKeyYLDHYBBVKYYYOK-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 56.20
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-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-heptylbenzene?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-heptylbenzene (CID 22123877) is 1-(4-fluorocyclohexyl)-4-heptylbenzene.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-heptylbenzene?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-heptylbenzene is CCCCCCCc1ccc(C2CCC(F)CC2)cc1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-heptylbenzene?
The InChIKey is YLDHYBBVKYYYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-11,18-19H,2-7,12-15H2,1H3.
What are the key properties of 1-(4-fluorocyclohexyl)-4-heptylbenzene?
1-(4-fluorocyclohexyl)-4-heptylbenzene has a molecular weight of 276.44 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-heptylbenzene is sourced from PubChem (CID 22123877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).