2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide

C8H11F4NO2 — CID 103733248

IUPAC2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(NCC1CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(14)13-3-5-1-2-15-4-5/h5-6H,1-4H2,(H,13,14)
InChIKeyAQXLLRIFAWLDSM-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.04
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide

2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 103733248) has the molecular formula C8H11F4NO2 and a molecular weight of 229.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide
PubChem CID103733248
Molecular FormulaC8H11F4NO2
Molecular Weight229.17 g/mol
Exact Mass229.07
IUPAC Name2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide
SMILESO=C(NCC1CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(14)13-3-5-1-2-15-4-5/h5-6H,1-4H2,(H,13,14)
InChIKeyAQXLLRIFAWLDSM-UHFFFAOYSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide
CID 169194005
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492688
2,2,2-trifluoro-N-(oxolan-3-ylmethyl)acetamide
CID 62728791
2-Methyl-4-(2,2,2-trifluoroacetamido)butyl trifluoroacetate
CID 71408892
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
CID 78858510
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924306
2-amino-3,3,3-trifluoro-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 79797744
1-[3-(2-Aminoethoxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 84059045
1-[3-(3-Aminopropoxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 84060339
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
CID 86930577

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide (CID 103733248) is 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide is O=C(NCC1CCOC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is AQXLLRIFAWLDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO2/c9-6(10)8(11,12)7(14)13-3-5-1-2-15-4-5/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide?
2,2,3,3-tetrafluoro-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 229.17 g/mol, XLogP of 1.04, 4 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-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 103733248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).