3-(fluoromethyl)-2,2-dimethoxyundecane

C14H29FO2 — CID 152537584

IUPAC3-(fluoromethyl)-2,2-dimethoxyundecane
SMILESCCCCCCCCC(CF)C(C)(OC)OC
InChIInChI=1S/C14H29FO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12H2,1-4H3
InChIKeyYKVYWKALWGKGOR-UHFFFAOYSA-N
MW248.38 g/mol
LogP4.33
Rot. Bonds11

About 3-(fluoromethyl)-2,2-dimethoxyundecane

3-(fluoromethyl)-2,2-dimethoxyundecane (PubChem CID 152537584) has the molecular formula C14H29FO2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 3-(fluoromethyl)-2,2-dimethoxyundecane.

Molecular Properties

Compound Name3-(fluoromethyl)-2,2-dimethoxyundecane
PubChem CID152537584
Molecular FormulaC14H29FO2
Molecular Weight248.38 g/mol
Exact Mass248.22
IUPAC Name3-(fluoromethyl)-2,2-dimethoxyundecane
SMILESCCCCCCCCC(CF)C(C)(OC)OC
InChIInChI=1S/C14H29FO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12H2,1-4H3
InChIKeyYKVYWKALWGKGOR-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(fluoromethyl)-2,2-dimethoxyundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
3,3-Dimethoxy-2-methyloctane
CID 85666791
2-Ethylcyclohexanone dimethyl acetal
CID 100962144
Diisobutyldimethoxypropane
CID 129762790
Cyclohexane, 4-(fluoromethyl)-1,1-dimethoxy-
CID 45098183
[Fluoro(dimethoxy)methyl]cyclohexane
CID 68448808
1-Ethoxy-1-fluoro-3-methyl-1-propan-2-yloxyheptane
CID 87974806
3-Methyl-2,2-bis(2,2,2-trifluoroethoxy)nonane
CID 90239326
3-(3-Fluoropropyl)-1,1-dimethoxycyclopentane
CID 144301654
1,1,1-Trifluoro-11-(trimethoxymethyl)nonadecane
CID 149614332
1,1,1-Trifluoro-7-(trimethoxymethyl)pentadecane
CID 149644407
11-(1,1-Dimethoxyethyl)-1,1,1,9,9,10,10-heptafluorononadecane
CID 149673792

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2,2-dimethoxyundecane?
The IUPAC name of 3-(fluoromethyl)-2,2-dimethoxyundecane (CID 152537584) is 3-(fluoromethyl)-2,2-dimethoxyundecane.
What is the SMILES notation for 3-(fluoromethyl)-2,2-dimethoxyundecane?
The canonical SMILES for 3-(fluoromethyl)-2,2-dimethoxyundecane is CCCCCCCCC(CF)C(C)(OC)OC.
What is the InChIKey of 3-(fluoromethyl)-2,2-dimethoxyundecane?
The InChIKey is YKVYWKALWGKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO2/c1-5-6-7-8-9-10-11-13(12-15)14(2,16-3)17-4/h13H,5-12H2,1-4H3.
What are the key properties of 3-(fluoromethyl)-2,2-dimethoxyundecane?
3-(fluoromethyl)-2,2-dimethoxyundecane has a molecular weight of 248.38 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2,2-dimethoxyundecane is sourced from PubChem (CID 152537584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).