2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide

C16H28F4N2O2 — CID 3470893

IUPAC2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
SMILESCC(C)N(C(=O)C(F)(F)C(F)(F)C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H28F4N2O2/c1-9(2)21(10(3)4)13(23)15(17,18)16(19,20)14(24)22(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyDUGWRQQBECMKJG-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.55
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide

2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide (PubChem CID 3470893) has the molecular formula C16H28F4N2O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
PubChem CID3470893
Molecular FormulaC16H28F4N2O2
Molecular Weight356.40 g/mol
Exact Mass356.21
IUPAC Name2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
SMILESCC(C)N(C(=O)C(F)(F)C(F)(F)C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H28F4N2O2/c1-9(2)21(10(3)4)13(23)15(17,18)16(19,20)14(24)22(11(5)6)12(7)8/h9-12H,1-8H3
InChIKeyDUGWRQQBECMKJG-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide (CID 3470893) is 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide is CC(C)N(C(=O)C(F)(F)C(F)(F)C(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide?
The InChIKey is DUGWRQQBECMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F4N2O2/c1-9(2)21(10(3)4)13(23)15(17,18)16(19,20)14(24)22(11(5)6)12(7)8/h9-12H,1-8H3.
What are the key properties of 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide?
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide has a molecular weight of 356.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide is sourced from PubChem (CID 3470893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).