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

C9H12F5NO2 — CID 106409944

IUPACN-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide
SMILESC=CCCOCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-2-3-5-17-6-4-15-7(16)8(10,11)9(12,13)14/h2H,1,3-6H2,(H,15,16)
InChIKeyYHTGHKFTZRMPAW-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.89
Rot. Bonds7

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

N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 106409944) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID106409944
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC NameN-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide
SMILESC=CCCOCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-2-3-5-17-6-4-15-7(16)8(10,11)9(12,13)14/h2H,1,3-6H2,(H,15,16)
InChIKeyYHTGHKFTZRMPAW-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.89
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)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide (CID 106409944) is N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide is C=CCCOCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is YHTGHKFTZRMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c1-2-3-5-17-6-4-15-7(16)8(10,11)9(12,13)14/h2H,1,3-6H2,(H,15,16).
What are the key properties of N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide?
N-(2-but-3-enoxyethyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 261.19 g/mol, XLogP of 1.89, 7 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)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 106409944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).