N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide

C14H22FNO5 — CID 145471170

IUPACN-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C(C)=C\N(C(C)=O)C1CC(OCCF)C(CO)O1
InChIInChI=1S/C14H22FNO5/c1-9(10(2)18)7-16(11(3)19)14-6-12(20-5-4-15)13(8-17)21-14/h7,12-14,17H,4-6,8H2,1-3H3/b9-7-
InChIKeyUKAAMYBZWQMORY-CLFYSBASSA-N
MW303.33 g/mol
LogP0.79
Rot. Bonds7

About N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide

N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide (PubChem CID 145471170) has the molecular formula C14H22FNO5 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide
PubChem CID145471170
Molecular FormulaC14H22FNO5
Molecular Weight303.33 g/mol
Exact Mass303.15
IUPAC NameN-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C(C)=C\N(C(C)=O)C1CC(OCCF)C(CO)O1
InChIInChI=1S/C14H22FNO5/c1-9(10(2)18)7-16(11(3)19)14-6-12(20-5-4-15)13(8-17)21-14/h7,12-14,17H,4-6,8H2,1-3H3/b9-7-
InChIKeyUKAAMYBZWQMORY-CLFYSBASSA-N
XLogP0.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide?
The IUPAC name of N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide (CID 145471170) is N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide?
The canonical SMILES for N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide is CC(=O)/C(C)=C\N(C(C)=O)C1CC(OCCF)C(CO)O1.
What is the InChIKey of N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide?
The InChIKey is UKAAMYBZWQMORY-CLFYSBASSA-N. The full InChI is InChI=1S/C14H22FNO5/c1-9(10(2)18)7-16(11(3)19)14-6-12(20-5-4-15)13(8-17)21-14/h7,12-14,17H,4-6,8H2,1-3H3/b9-7-.
What are the key properties of N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide?
N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroethoxy)-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-2-methyl-3-oxobut-1-enyl]acetamide is sourced from PubChem (CID 145471170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).