3-(fluoromethyl)undecane

C12H25F — CID 11658419

IUPAC3-(fluoromethyl)undecane
SMILESCCCCCCCCC(CC)CF
InChIInChI=1S/C12H25F/c1-3-5-6-7-8-9-10-12(4-2)11-13/h12H,3-11H2,1-2H3
InChIKeyUVEHWOQDJSTKTO-UHFFFAOYSA-N
MW188.33 g/mol
LogP4.73
Rot. Bonds9

About 3-(fluoromethyl)undecane

3-(fluoromethyl)undecane (PubChem CID 11658419) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is 3-(fluoromethyl)undecane.

Molecular Properties

Compound Name3-(fluoromethyl)undecane
PubChem CID11658419
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Name3-(fluoromethyl)undecane
SMILESCCCCCCCCC(CC)CF
InChIInChI=1S/C12H25F/c1-3-5-6-7-8-9-10-12(4-2)11-13/h12H,3-11H2,1-2H3
InChIKeyUVEHWOQDJSTKTO-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.73
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

7-(fluoromethyl)tetradecane
CID 155260324
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306
9-hexyl-12-octyldocosane
CID 154203078
8-(3-ethylhexyl)hexadecane
CID 123944120

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)undecane?
The IUPAC name of 3-(fluoromethyl)undecane (CID 11658419) is 3-(fluoromethyl)undecane.
What is the SMILES notation for 3-(fluoromethyl)undecane?
The canonical SMILES for 3-(fluoromethyl)undecane is CCCCCCCCC(CC)CF.
What is the InChIKey of 3-(fluoromethyl)undecane?
The InChIKey is UVEHWOQDJSTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F/c1-3-5-6-7-8-9-10-12(4-2)11-13/h12H,3-11H2,1-2H3.
What are the key properties of 3-(fluoromethyl)undecane?
3-(fluoromethyl)undecane has a molecular weight of 188.33 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)undecane is sourced from PubChem (CID 11658419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).