N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide

C9H13F4NO2 — CID 103855683

IUPACN-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide
SMILESC=CCCOCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c1-2-3-5-16-6-4-14-8(15)9(12,13)7(10)11/h2,7H,1,3-6H2,(H,14,15)
InChIKeyAXEQPAQDMKGFGH-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.60
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide

N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103855683) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103855683
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC NameN-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide
SMILESC=CCCOCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c1-2-3-5-16-6-4-14-8(15)9(12,13)7(10)11/h2,7H,1,3-6H2,(H,14,15)
InChIKeyAXEQPAQDMKGFGH-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide (CID 103855683) is N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide is C=CCCOCCNC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is AXEQPAQDMKGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-2-3-5-16-6-4-14-8(15)9(12,13)7(10)11/h2,7H,1,3-6H2,(H,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 243.20 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103855683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).