1,1,1-trifluoro-4-(2-methoxyethyl)undecane

C14H27F3O — CID 150040404

IUPAC1,1,1-trifluoro-4-(2-methoxyethyl)undecane
SMILESCCCCCCCC(CCOC)CCC(F)(F)F
InChIInChI=1S/C14H27F3O/c1-3-4-5-6-7-8-13(10-12-18-2)9-11-14(15,16)17/h13H,3-12H2,1-2H3
InChIKeyDJDTVBGPKBLAIL-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.34
Rot. Bonds11

About 1,1,1-trifluoro-4-(2-methoxyethyl)undecane

1,1,1-trifluoro-4-(2-methoxyethyl)undecane (PubChem CID 150040404) has the molecular formula C14H27F3O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(2-methoxyethyl)undecane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(2-methoxyethyl)undecane
PubChem CID150040404
Molecular FormulaC14H27F3O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name1,1,1-trifluoro-4-(2-methoxyethyl)undecane
SMILESCCCCCCCC(CCOC)CCC(F)(F)F
InChIInChI=1S/C14H27F3O/c1-3-4-5-6-7-8-13(10-12-18-2)9-11-14(15,16)17/h13H,3-12H2,1-2H3
InChIKeyDJDTVBGPKBLAIL-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-4-(2-methoxyethyl)undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(2-methoxyethyl)undecane?
The IUPAC name of 1,1,1-trifluoro-4-(2-methoxyethyl)undecane (CID 150040404) is 1,1,1-trifluoro-4-(2-methoxyethyl)undecane.
What is the SMILES notation for 1,1,1-trifluoro-4-(2-methoxyethyl)undecane?
The canonical SMILES for 1,1,1-trifluoro-4-(2-methoxyethyl)undecane is CCCCCCCC(CCOC)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(2-methoxyethyl)undecane?
The InChIKey is DJDTVBGPKBLAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O/c1-3-4-5-6-7-8-13(10-12-18-2)9-11-14(15,16)17/h13H,3-12H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-(2-methoxyethyl)undecane?
1,1,1-trifluoro-4-(2-methoxyethyl)undecane has a molecular weight of 268.36 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(2-methoxyethyl)undecane is sourced from PubChem (CID 150040404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).