3-fluoro-3-methylundecane

C12H25F — CID 102196197

IUPAC3-fluoro-3-methylundecane
SMILESCCCCCCCCC(C)(F)CC
InChIInChI=1S/C12H25F/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4-11H2,1-3H3
InChIKeySGDFBHTWHQEVRG-UHFFFAOYSA-N
MW188.33 g/mol
LogP4.88
Rot. Bonds8

About 3-fluoro-3-methylundecane

3-fluoro-3-methylundecane (PubChem CID 102196197) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is 3-fluoro-3-methylundecane.

Molecular Properties

Compound Name3-fluoro-3-methylundecane
PubChem CID102196197
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Name3-fluoro-3-methylundecane
SMILESCCCCCCCCC(C)(F)CC
InChIInChI=1S/C12H25F/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4-11H2,1-3H3
InChIKeySGDFBHTWHQEVRG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.88
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

4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
3-Methylnonane
CID 22202
4-Methylnonane
CID 28455
3,5-Dimethyloctane
CID 139989
3-Methyloctane
CID 16664
2,6-Dimethylundecane
CID 28453
2,6-Dimethylnonane
CID 28457
3,7-Dimethylnonane
CID 28458
5-Methyldecane
CID 93071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylundecane?
The IUPAC name of 3-fluoro-3-methylundecane (CID 102196197) is 3-fluoro-3-methylundecane.
What is the SMILES notation for 3-fluoro-3-methylundecane?
The canonical SMILES for 3-fluoro-3-methylundecane is CCCCCCCCC(C)(F)CC.
What is the InChIKey of 3-fluoro-3-methylundecane?
The InChIKey is SGDFBHTWHQEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4-11H2,1-3H3.
What are the key properties of 3-fluoro-3-methylundecane?
3-fluoro-3-methylundecane has a molecular weight of 188.33 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylundecane is sourced from PubChem (CID 102196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).