1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane

C16H31F — CID 155261797

IUPAC1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane
SMILESCCCCCCC(C)(CCCCC)C1(F)CC1
InChIInChI=1S/C16H31F/c1-4-6-8-10-12-15(3,11-9-7-5-2)16(17)13-14-16/h4-14H2,1-3H3
InChIKeyUAJMTRCUGODKHS-UHFFFAOYSA-N
MW242.42 g/mol
LogP6.05
Rot. Bonds10

About 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane

1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane (PubChem CID 155261797) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane.

Molecular Properties

Compound Name1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane
PubChem CID155261797
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane
SMILESCCCCCCC(C)(CCCCC)C1(F)CC1
InChIInChI=1S/C16H31F/c1-4-6-8-10-12-15(3,11-9-7-5-2)16(17)13-14-16/h4-14H2,1-3H3
InChIKeyUAJMTRCUGODKHS-UHFFFAOYSA-N
XLogP6.05
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 ≤ 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-(fluoromethyl)-1-(5-methylundecan-5-yl)cyclopropane
CID 156566178
1-(2,2-dimethylheptyl)-1-fluorocyclopropane
CID 167068470
2,2-dimethylnonane;fluoromethane
CID 158057771
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethylnonadecane;oxosilane
CID 158610214
1,1,1,2,2-pentafluorononadecane
CID 98452406
2,2-dimethylpropane;heptane
CID 144531055
azane;2,2-dimethylundecane
CID 172735807
12-undecyltricosan-12-ylphosphane
CID 21324491
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane?
The IUPAC name of 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane (CID 155261797) is 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane.
What is the SMILES notation for 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane?
The canonical SMILES for 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane is CCCCCCC(C)(CCCCC)C1(F)CC1.
What is the InChIKey of 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane?
The InChIKey is UAJMTRCUGODKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F/c1-4-6-8-10-12-15(3,11-9-7-5-2)16(17)13-14-16/h4-14H2,1-3H3.
What are the key properties of 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane?
1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane has a molecular weight of 242.42 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(6-methyldodecan-6-yl)cyclopropane is sourced from PubChem (CID 155261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).