1,1,1-trifluoro-5-(trimethoxymethyl)tridecane

C17H33F3O3 — CID 150730779

IUPAC1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(CCCC(F)(F)F)C(OC)(OC)OC
InChIInChI=1S/C17H33F3O3/c1-5-6-7-8-9-10-12-15(13-11-14-16(18,19)20)17(21-2,22-3)23-4/h15H,5-14H2,1-4H3
InChIKeyJRULDCXWWPSFDK-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.68
Rot. Bonds14

About 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane

1,1,1-trifluoro-5-(trimethoxymethyl)tridecane (PubChem CID 150730779) has the molecular formula C17H33F3O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
PubChem CID150730779
Molecular FormulaC17H33F3O3
Molecular Weight342.44 g/mol
Exact Mass342.24
IUPAC Name1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
SMILESCCCCCCCCC(CCCC(F)(F)F)C(OC)(OC)OC
InChIInChI=1S/C17H33F3O3/c1-5-6-7-8-9-10-12-15(13-11-14-16(18,19)20)17(21-2,22-3)23-4/h15H,5-14H2,1-4H3
InChIKeyJRULDCXWWPSFDK-UHFFFAOYSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(trimethoxymethyl)tridecane
CID 151806345
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
1,1,1,2,2,3,3-heptafluoro-6-(trimethoxymethyl)tetradecane
CID 150818115
3-(trimethoxymethyl)undecane
CID 150552650
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-(trimethoxymethyl)hexadecane
CID 150320686
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206
1-sulfonyl-4-(trimethoxymethyl)dodecane
CID 151131414
2-methyl-4-(trimethoxymethyl)dodecane
CID 150841512
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
1,1,1-trifluoro-3-[tri(propan-2-yloxy)methyl]undecane
CID 151669303

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane?
The IUPAC name of 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane (CID 150730779) is 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane.
What is the SMILES notation for 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane?
The canonical SMILES for 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane is CCCCCCCCC(CCCC(F)(F)F)C(OC)(OC)OC.
What is the InChIKey of 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane?
The InChIKey is JRULDCXWWPSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O3/c1-5-6-7-8-9-10-12-15(13-11-14-16(18,19)20)17(21-2,22-3)23-4/h15H,5-14H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane?
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane has a molecular weight of 342.44 g/mol, XLogP of 5.68, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(trimethoxymethyl)tridecane is sourced from PubChem (CID 150730779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).