1,1,1-trifluoro-10-methylundecane

C12H23F3 — CID 57090920

IUPAC1,1,1-trifluoro-10-methylundecane
SMILESCC(C)CCCCCCCCC(F)(F)F
InChIInChI=1S/C12H23F3/c1-11(2)9-7-5-3-4-6-8-10-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyFBMAJITVRUBTJD-UHFFFAOYSA-N
MW224.31 g/mol
LogP5.33
Rot. Bonds8

About 1,1,1-trifluoro-10-methylundecane

1,1,1-trifluoro-10-methylundecane (PubChem CID 57090920) has the molecular formula C12H23F3 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-10-methylundecane.

Molecular Properties

Compound Name1,1,1-trifluoro-10-methylundecane
PubChem CID57090920
Molecular FormulaC12H23F3
Molecular Weight224.31 g/mol
Exact Mass224.18
IUPAC Name1,1,1-trifluoro-10-methylundecane
SMILESCC(C)CCCCCCCCC(F)(F)F
InChIInChI=1S/C12H23F3/c1-11(2)9-7-5-3-4-6-8-10-12(13,14)15/h11H,3-10H2,1-2H3
InChIKeyFBMAJITVRUBTJD-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.31
LogP ≤ 55.33
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-10-methylundecane?
The IUPAC name of 1,1,1-trifluoro-10-methylundecane (CID 57090920) is 1,1,1-trifluoro-10-methylundecane.
What is the SMILES notation for 1,1,1-trifluoro-10-methylundecane?
The canonical SMILES for 1,1,1-trifluoro-10-methylundecane is CC(C)CCCCCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-10-methylundecane?
The InChIKey is FBMAJITVRUBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3/c1-11(2)9-7-5-3-4-6-8-10-12(13,14)15/h11H,3-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-10-methylundecane?
1,1,1-trifluoro-10-methylundecane has a molecular weight of 224.31 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-10-methylundecane is sourced from PubChem (CID 57090920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).