2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane

C13H23F5O3 — CID 151380849

IUPAC2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
SMILESCCCCCCC(F)C(F)(F)C(F)(F)C(OC)(OC)OC
InChIInChI=1S/C13H23F5O3/c1-5-6-7-8-9-10(14)11(15,16)12(17,18)13(19-2,20-3)21-4/h10H,5-9H2,1-4H3
InChIKeyOSJLUSYEXXJWML-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.16
Rot. Bonds11

About 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane

2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane (PubChem CID 151380849) has the molecular formula C13H23F5O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
PubChem CID151380849
Molecular FormulaC13H23F5O3
Molecular Weight322.31 g/mol
Exact Mass322.16
IUPAC Name2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
SMILESCCCCCCC(F)C(F)(F)C(F)(F)C(OC)(OC)OC
InChIInChI=1S/C13H23F5O3/c1-5-6-7-8-9-10(14)11(15,16)12(17,18)13(19-2,20-3)21-4/h10H,5-9H2,1-4H3
InChIKeyOSJLUSYEXXJWML-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.16
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
1,1,1,2,3,3,4-heptafluorodecan-2-ol
CID 139615340
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
triethoxy(1,1,2,2,3-pentafluorodecyl)silane
CID 139987184
1,2-difluoroheptane-1,1-diol
CID 151949145
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonate;tetraethylazanium
CID 122482084

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane?
The IUPAC name of 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane (CID 151380849) is 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane.
What is the SMILES notation for 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane?
The canonical SMILES for 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane is CCCCCCC(F)C(F)(F)C(F)(F)C(OC)(OC)OC.
What is the InChIKey of 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane?
The InChIKey is OSJLUSYEXXJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F5O3/c1-5-6-7-8-9-10(14)11(15,16)12(17,18)13(19-2,20-3)21-4/h10H,5-9H2,1-4H3.
What are the key properties of 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane?
2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane has a molecular weight of 322.31 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane is sourced from PubChem (CID 151380849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).