1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine

C10H15F10N — CID 174739856

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine
SMILESCCN(CC)CC.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C4F10/c1-4-7(5-2)6-3;5-1(6,3(9,10)11)2(7,8)4(12,13)14/h4-6H2,1-3H3;
InChIKeyWGJMJNPFCXLIEA-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.73
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine

1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine (PubChem CID 174739856) has the molecular formula C10H15F10N and a molecular weight of 339.22 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine
PubChem CID174739856
Molecular FormulaC10H15F10N
Molecular Weight339.22 g/mol
Exact Mass339.10
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine
SMILESCCN(CC)CC.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C4F10/c1-4-7(5-2)6-3;5-1(6,3(9,10)11)2(7,8)4(12,13)14/h4-6H2,1-3H3;
InChIKeyWGJMJNPFCXLIEA-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 170852082
N,N-diethyl-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 15016522
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid
CID 88584535
N,N-diethylethanamine;hypofluorous acid
CID 157218487
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659646
N,N-diethylethanamine;pentafluoro-λ5-stibane
CID 88607097

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine (CID 174739856) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine is CCN(CC)CC.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine?
The InChIKey is WGJMJNPFCXLIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4F10/c1-4-7(5-2)6-3;5-1(6,3(9,10)11)2(7,8)4(12,13)14/h4-6H2,1-3H3;.
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine has a molecular weight of 339.22 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;N,N-diethylethanamine is sourced from PubChem (CID 174739856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).