2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide

C8H12F5NO — CID 91727024

IUPAC2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-5(2)3-4-14-6(15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyUHCIHGOYCUACPW-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.35
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide

2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide (PubChem CID 91727024) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide
PubChem CID91727024
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-5(2)3-4-14-6(15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyUHCIHGOYCUACPW-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide (CID 91727024) is 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide?
The InChIKey is UHCIHGOYCUACPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c1-5(2)3-4-14-6(15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide?
2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide has a molecular weight of 233.18 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 91727024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).