1-fluoro-7-methylpentacosane

C26H53F — CID 88638363

IUPAC1-fluoro-7-methylpentacosane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCF
InChIInChI=1S/C26H53F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(2)24-21-18-19-22-25-27/h26H,3-25H2,1-2H3
InChIKeyOQUMNXSKDZBSBP-UHFFFAOYSA-N
MW384.71 g/mol
LogP10.19
Rot. Bonds23

About 1-fluoro-7-methylpentacosane

1-fluoro-7-methylpentacosane (PubChem CID 88638363) has the molecular formula C26H53F and a molecular weight of 384.71 g/mol. Its IUPAC name is 1-fluoro-7-methylpentacosane.

Molecular Properties

Compound Name1-fluoro-7-methylpentacosane
PubChem CID88638363
Molecular FormulaC26H53F
Molecular Weight384.71 g/mol
Exact Mass384.41
IUPAC Name1-fluoro-7-methylpentacosane
SMILESCCCCCCCCCCCCCCCCCCC(C)CCCCCCF
InChIInChI=1S/C26H53F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(2)24-21-18-19-22-25-27/h26H,3-25H2,1-2H3
InChIKeyOQUMNXSKDZBSBP-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 510.19
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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-methylpentacosane?
The IUPAC name of 1-fluoro-7-methylpentacosane (CID 88638363) is 1-fluoro-7-methylpentacosane.
What is the SMILES notation for 1-fluoro-7-methylpentacosane?
The canonical SMILES for 1-fluoro-7-methylpentacosane is CCCCCCCCCCCCCCCCCCC(C)CCCCCCF.
What is the InChIKey of 1-fluoro-7-methylpentacosane?
The InChIKey is OQUMNXSKDZBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53F/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(2)24-21-18-19-22-25-27/h26H,3-25H2,1-2H3.
What are the key properties of 1-fluoro-7-methylpentacosane?
1-fluoro-7-methylpentacosane has a molecular weight of 384.71 g/mol, XLogP of 10.19, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-methylpentacosane is sourced from PubChem (CID 88638363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).