1-fluoro-1-tridecan-7-ylcyclopropane

C16H31F — CID 166909340

IUPAC1-fluoro-1-tridecan-7-ylcyclopropane
SMILESCCCCCCC(CCCCCC)C1(F)CC1
InChIInChI=1S/C16H31F/c1-3-5-7-9-11-15(16(17)13-14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyCQFWDFMDAMSKFI-UHFFFAOYSA-N
MW242.42 g/mol
LogP6.05
Rot. Bonds11

About 1-fluoro-1-tridecan-7-ylcyclopropane

1-fluoro-1-tridecan-7-ylcyclopropane (PubChem CID 166909340) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is 1-fluoro-1-tridecan-7-ylcyclopropane.

Molecular Properties

Compound Name1-fluoro-1-tridecan-7-ylcyclopropane
PubChem CID166909340
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name1-fluoro-1-tridecan-7-ylcyclopropane
SMILESCCCCCCC(CCCCCC)C1(F)CC1
InChIInChI=1S/C16H31F/c1-3-5-7-9-11-15(16(17)13-14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyCQFWDFMDAMSKFI-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 56.05
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-propyl-1-undecan-4-ylcyclopropane
CID 123635961
15-methylhexatriacontane
CID 86002594
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-tridecan-7-ylcyclopropane?
The IUPAC name of 1-fluoro-1-tridecan-7-ylcyclopropane (CID 166909340) is 1-fluoro-1-tridecan-7-ylcyclopropane.
What is the SMILES notation for 1-fluoro-1-tridecan-7-ylcyclopropane?
The canonical SMILES for 1-fluoro-1-tridecan-7-ylcyclopropane is CCCCCCC(CCCCCC)C1(F)CC1.
What is the InChIKey of 1-fluoro-1-tridecan-7-ylcyclopropane?
The InChIKey is CQFWDFMDAMSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F/c1-3-5-7-9-11-15(16(17)13-14-16)12-10-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 1-fluoro-1-tridecan-7-ylcyclopropane?
1-fluoro-1-tridecan-7-ylcyclopropane has a molecular weight of 242.42 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-tridecan-7-ylcyclopropane is sourced from PubChem (CID 166909340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).