2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C8H11F4NO2 — CID 103771933

IUPAC2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(CO)CC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-5(10)8(11,12)6(15)13-3-7(4-14)1-2-7/h5,14H,1-4H2,(H,13,15)
InChIKeyULQIAHUGOYDWDI-UHFFFAOYSA-N
MW229.17 g/mol
LogP0.78
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 103771933) has the molecular formula C8H11F4NO2 and a molecular weight of 229.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID103771933
Molecular FormulaC8H11F4NO2
Molecular Weight229.17 g/mol
Exact Mass229.07
IUPAC Name2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(CO)CC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-5(10)8(11,12)6(15)13-3-7(4-14)1-2-7/h5,14H,1-4H2,(H,13,15)
InChIKeyULQIAHUGOYDWDI-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 50.78
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 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 103771933) is 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is O=C(NCC1(CO)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is ULQIAHUGOYDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO2/c9-5(10)8(11,12)6(15)13-3-7(4-14)1-2-7/h5,14H,1-4H2,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 229.17 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 103771933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).