N-(3-fluorooxan-4-yl)acetamide

C7H12FNO2 — CID 145223801

IUPACN-(3-fluorooxan-4-yl)acetamide
SMILESCC(=O)NC1CCOCC1F
InChIInChI=1S/C7H12FNO2/c1-5(10)9-7-2-3-11-4-6(7)8/h6-7H,2-4H2,1H3,(H,9,10)
InChIKeyYOXOBQBGIXBDJR-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds1

About N-(3-fluorooxan-4-yl)acetamide

N-(3-fluorooxan-4-yl)acetamide (PubChem CID 145223801) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-(3-fluorooxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorooxan-4-yl)acetamide
PubChem CID145223801
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-(3-fluorooxan-4-yl)acetamide
SMILESCC(=O)NC1CCOCC1F
InChIInChI=1S/C7H12FNO2/c1-5(10)9-7-2-3-11-4-6(7)8/h6-7H,2-4H2,1H3,(H,9,10)
InChIKeyYOXOBQBGIXBDJR-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorooxan-4-yl)acetamide?
The IUPAC name of N-(3-fluorooxan-4-yl)acetamide (CID 145223801) is N-(3-fluorooxan-4-yl)acetamide.
What is the SMILES notation for N-(3-fluorooxan-4-yl)acetamide?
The canonical SMILES for N-(3-fluorooxan-4-yl)acetamide is CC(=O)NC1CCOCC1F.
What is the InChIKey of N-(3-fluorooxan-4-yl)acetamide?
The InChIKey is YOXOBQBGIXBDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(10)9-7-2-3-11-4-6(7)8/h6-7H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(3-fluorooxan-4-yl)acetamide?
N-(3-fluorooxan-4-yl)acetamide has a molecular weight of 161.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorooxan-4-yl)acetamide is sourced from PubChem (CID 145223801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).