1,1,1-trifluoro-5-(1-iodoethyl)undecane

C13H24F3I — CID 142693981

IUPAC1,1,1-trifluoro-5-(1-iodoethyl)undecane
SMILESCCCCCCC(CCCC(F)(F)F)C(C)I
InChIInChI=1S/C13H24F3I/c1-3-4-5-6-8-12(11(2)17)9-7-10-13(14,15)16/h11-12H,3-10H2,1-2H3
InChIKeyOSNNTDSHDGAYME-UHFFFAOYSA-N
MW364.23 g/mol
LogP6.13
Rot. Bonds9

About 1,1,1-trifluoro-5-(1-iodoethyl)undecane

1,1,1-trifluoro-5-(1-iodoethyl)undecane (PubChem CID 142693981) has the molecular formula C13H24F3I and a molecular weight of 364.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(1-iodoethyl)undecane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(1-iodoethyl)undecane
PubChem CID142693981
Molecular FormulaC13H24F3I
Molecular Weight364.23 g/mol
Exact Mass364.09
IUPAC Name1,1,1-trifluoro-5-(1-iodoethyl)undecane
SMILESCCCCCCC(CCCC(F)(F)F)C(C)I
InChIInChI=1S/C13H24F3I/c1-3-4-5-6-8-12(11(2)17)9-7-10-13(14,15)16/h11-12H,3-10H2,1-2H3
InChIKeyOSNNTDSHDGAYME-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-5-(1-iodoethyl)undecane 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

1,1,1-trifluoro-4-methyldecane
CID 147899191
1,1,1-trifluorohexadecane
CID 15685316
7-(3,3,3-trifluoropropyl)tridecane
CID 126695367
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
1,1,1-trifluorotetradecan-4-amine
CID 79954086
7-(1,1,1-trifluoropropan-2-yl)tetradecane
CID 155261699
4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
CID 167004747
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
9,10-dioctylhexacosane
CID 21470284

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(1-iodoethyl)undecane?
The IUPAC name of 1,1,1-trifluoro-5-(1-iodoethyl)undecane (CID 142693981) is 1,1,1-trifluoro-5-(1-iodoethyl)undecane.
What is the SMILES notation for 1,1,1-trifluoro-5-(1-iodoethyl)undecane?
The canonical SMILES for 1,1,1-trifluoro-5-(1-iodoethyl)undecane is CCCCCCC(CCCC(F)(F)F)C(C)I.
What is the InChIKey of 1,1,1-trifluoro-5-(1-iodoethyl)undecane?
The InChIKey is OSNNTDSHDGAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3I/c1-3-4-5-6-8-12(11(2)17)9-7-10-13(14,15)16/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-(1-iodoethyl)undecane?
1,1,1-trifluoro-5-(1-iodoethyl)undecane has a molecular weight of 364.23 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(1-iodoethyl)undecane is sourced from PubChem (CID 142693981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).