N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

C11H19F4NO — CID 89315055

IUPACN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCCCCN(CC(F)(F)C(F)F)C(=O)C(C)C
InChIInChI=1S/C11H19F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h8,10H,4-7H2,1-3H3
InChIKeyOPCRKOQWMWBKSD-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.17
Rot. Bonds7

About N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide

N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 89315055) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID89315055
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCCCCN(CC(F)(F)C(F)F)C(=O)C(C)C
InChIInChI=1S/C11H19F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h8,10H,4-7H2,1-3H3
InChIKeyOPCRKOQWMWBKSD-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 89315055) is N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is CCCCN(CC(F)(F)C(F)F)C(=O)C(C)C.
What is the InChIKey of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is OPCRKOQWMWBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-4-5-6-16(9(17)8(2)3)7-11(14,15)10(12)13/h8,10H,4-7H2,1-3H3.
What are the key properties of N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide?
N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 257.27 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 89315055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).