3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide

C10H18F4N2O — CID 106291705

IUPAC3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4N2O/c1-8(2,9(3,4)15)7(17)16-5-10(13,14)6(11)12/h6H,5,15H2,1-4H3,(H,16,17)
InChIKeyYMWIBENNJXYLEQ-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide

3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide (PubChem CID 106291705) has the molecular formula C10H18F4N2O and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
PubChem CID106291705
Molecular FormulaC10H18F4N2O
Molecular Weight258.26 g/mol
Exact Mass258.14
IUPAC Name3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4N2O/c1-8(2,9(3,4)15)7(17)16-5-10(13,14)6(11)12/h6H,5,15H2,1-4H3,(H,16,17)
InChIKeyYMWIBENNJXYLEQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
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 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide (CID 106291705) is 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide?
The InChIKey is YMWIBENNJXYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4N2O/c1-8(2,9(3,4)15)7(17)16-5-10(13,14)6(11)12/h6H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide has a molecular weight of 258.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)butanamide is sourced from PubChem (CID 106291705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).