1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane

C16H31F — CID 156566178

IUPAC1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane
SMILESCCCCCCC(C)(CCCC)C1(CF)CC1
InChIInChI=1S/C16H31F/c1-4-6-8-9-11-15(3,10-7-5-2)16(14-17)12-13-16/h4-14H2,1-3H3
InChIKeyFAGDGNLUJMFJCU-UHFFFAOYSA-N
MW242.42 g/mol
LogP5.90
Rot. Bonds10

About 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane

1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane (PubChem CID 156566178) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane.

Molecular Properties

Compound Name1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane
PubChem CID156566178
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane
SMILESCCCCCCC(C)(CCCC)C1(CF)CC1
InChIInChI=1S/C16H31F/c1-4-6-8-9-11-15(3,10-7-5-2)16(14-17)12-13-16/h4-14H2,1-3H3
InChIKeyFAGDGNLUJMFJCU-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 55.90
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-1-(6-methyldodecan-6-yl)cyclopropane
CID 155261797
5-butyl-5-methylpentadecane
CID 174700907
5,5,6,6-tetramethyltridecane
CID 173349107
7-butyl-7-ethyltetradecane
CID 174665936
2,2-dimethylnonane;fluoromethane
CID 158057771
6-(3-fluoropropyl)-6-methyldodecane
CID 137470516
11-methyl-11-nonylhenicosane
CID 19690388
10,10-dibutylicosane
CID 151498539
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
2-methylpentadecan-2-amine;hydroiodide
CID 175554566

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane?
The IUPAC name of 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane (CID 156566178) is 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane.
What is the SMILES notation for 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane?
The canonical SMILES for 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane is CCCCCCC(C)(CCCC)C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane?
The InChIKey is FAGDGNLUJMFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F/c1-4-6-8-9-11-15(3,10-7-5-2)16(14-17)12-13-16/h4-14H2,1-3H3.
What are the key properties of 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane?
1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane has a molecular weight of 242.42 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane is sourced from PubChem (CID 156566178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).