1-fluoro-4-(4-heptylcyclohexyl)benzene

C19H29F — CID 578935

IUPAC1-fluoro-4-(4-heptylcyclohexyl)benzene
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/h12-17H,2-11H2,1H3
InChIKeyZPNZXIUICNXXNC-UHFFFAOYSA-N
MW276.44 g/mol
LogP6.46
Rot. Bonds7

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

1-fluoro-4-(4-heptylcyclohexyl)benzene (PubChem CID 578935) has the molecular formula C19H29F and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-fluoro-4-(4-heptylcyclohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-heptylcyclohexyl)benzene
PubChem CID578935
Molecular FormulaC19H29F
Molecular Weight276.44 g/mol
Exact Mass276.23
IUPAC Name1-fluoro-4-(4-heptylcyclohexyl)benzene
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/h12-17H,2-11H2,1H3
InChIKeyZPNZXIUICNXXNC-UHFFFAOYSA-N
XLogP6.46
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 ≤ 56.46
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-heptylcyclohexyl)benzene?
The IUPAC name of 1-fluoro-4-(4-heptylcyclohexyl)benzene (CID 578935) is 1-fluoro-4-(4-heptylcyclohexyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-heptylcyclohexyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-heptylcyclohexyl)benzene is CCCCCCCC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-(4-heptylcyclohexyl)benzene?
The InChIKey is ZPNZXIUICNXXNC-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/h12-17H,2-11H2,1H3.
What are the key properties of 1-fluoro-4-(4-heptylcyclohexyl)benzene?
1-fluoro-4-(4-heptylcyclohexyl)benzene has a molecular weight of 276.44 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-heptylcyclohexyl)benzene is sourced from PubChem (CID 578935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).