2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide

C9H15F4NO — CID 103733242

IUPAC2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
SMILESCCC(NC(=O)C(F)(F)C(F)F)C(C)C
InChIInChI=1S/C9H15F4NO/c1-4-6(5(2)3)14-8(15)9(12,13)7(10)11/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyADRNBQOMCINJPS-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.44
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide

2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide (PubChem CID 103733242) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
PubChem CID103733242
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
SMILESCCC(NC(=O)C(F)(F)C(F)F)C(C)C
InChIInChI=1S/C9H15F4NO/c1-4-6(5(2)3)14-8(15)9(12,13)7(10)11/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyADRNBQOMCINJPS-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040
2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
CID 103732426
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
2,3,5,6-tetrafluoro-1-N,4-N-bis[(3S)-2-methylpentan-3-yl]benzene-1,4-dicarboxamide
CID 99794491
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide (CID 103733242) is 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide is CCC(NC(=O)C(F)(F)C(F)F)C(C)C.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide?
The InChIKey is ADRNBQOMCINJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-4-6(5(2)3)14-8(15)9(12,13)7(10)11/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide has a molecular weight of 229.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103733242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).