sodium;dodecyl 2,2,2-trifluoroacetate;hydride

C14H26F3NaO2 — CID 175457015

IUPACsodium;dodecyl 2,2,2-trifluoroacetate;hydride
SMILESCCCCCCCCCCCCOC(=O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C14H25F3O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17;;/h2-12H2,1H3;;/q;+1;-1
InChIKeyQNFUSFNZTNRXSN-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.13
Rot. Bonds11

About sodium;dodecyl 2,2,2-trifluoroacetate;hydride

sodium;dodecyl 2,2,2-trifluoroacetate;hydride (PubChem CID 175457015) has the molecular formula C14H26F3NaO2 and a molecular weight of 306.34 g/mol. Its IUPAC name is sodium;dodecyl 2,2,2-trifluoroacetate;hydride.

Molecular Properties

Compound Namesodium;dodecyl 2,2,2-trifluoroacetate;hydride
PubChem CID175457015
Molecular FormulaC14H26F3NaO2
Molecular Weight306.34 g/mol
Exact Mass306.18
IUPAC Namesodium;dodecyl 2,2,2-trifluoroacetate;hydride
SMILESCCCCCCCCCCCCOC(=O)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C14H25F3O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17;;/h2-12H2,1H3;;/q;+1;-1
InChIKeyQNFUSFNZTNRXSN-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
dihexyl 2,2-difluoropropanedioate
CID 154336764
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
CID 91691240
dioctyl 2,2-diethylpropanedioate
CID 22468237
1-O-dodecyl 3-O-nonyl 2,2-diethylpropanedioate
CID 91707327
1-O-decyl 3-O-octyl 2,2-diethylpropanedioate
CID 91707351
1-O-pentadecyl 3-O-undecyl 2,2-diethylpropanedioate
CID 91707362

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl 2,2,2-trifluoroacetate;hydride?
The IUPAC name of sodium;dodecyl 2,2,2-trifluoroacetate;hydride (CID 175457015) is sodium;dodecyl 2,2,2-trifluoroacetate;hydride.
What is the SMILES notation for sodium;dodecyl 2,2,2-trifluoroacetate;hydride?
The canonical SMILES for sodium;dodecyl 2,2,2-trifluoroacetate;hydride is CCCCCCCCCCCCOC(=O)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;dodecyl 2,2,2-trifluoroacetate;hydride?
The InChIKey is QNFUSFNZTNRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17;;/h2-12H2,1H3;;/q;+1;-1.
What are the key properties of sodium;dodecyl 2,2,2-trifluoroacetate;hydride?
sodium;dodecyl 2,2,2-trifluoroacetate;hydride has a molecular weight of 306.34 g/mol, XLogP of 2.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl 2,2,2-trifluoroacetate;hydride is sourced from PubChem (CID 175457015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).