2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide

C9H15F4NO2 — CID 103733008

IUPAC2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide
SMILESCC(C)COCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-6(2)5-16-4-3-14-8(15)9(12,13)7(10)11/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyBORFBUDKRRRPOM-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.68
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide (PubChem CID 103733008) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide
PubChem CID103733008
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide
SMILESCC(C)COCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-6(2)5-16-4-3-14-8(15)9(12,13)7(10)11/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyBORFBUDKRRRPOM-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-methoxyethyl)butanamide
CID 3255117
beta-Alanine, n-pentafluoropropionyl-, isobutyl ester
CID 91735323
Propanoic acid, 2,2,3,3,3-pentafluoro-, 2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl ester
CID 12589532
1-(2,2,3,3,3-Pentafluoropropanoylamino)propan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 21615321
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
N-[2-(2-fluorocyclopropyl)oxyethyl]-2-methylpropanamide
CID 57886910
N-[2-(difluoromethoxy)ethyl]-2-methylpropanamide
CID 57886985
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
CID 62492523
N-(2-ethoxyethyl)-2,2-difluoroacetamide
CID 89219285
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 121359379

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide (CID 103733008) is 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide is CC(C)COCCNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide?
The InChIKey is BORFBUDKRRRPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-6(2)5-16-4-3-14-8(15)9(12,13)7(10)11/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide has a molecular weight of 245.22 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(2-methylpropoxy)ethyl]propanamide is sourced from PubChem (CID 103733008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).