2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide

C7H12FNO3 — CID 130684184

IUPAC2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide
SMILESO=C(CC1OCCO1)NCCF
InChIInChI=1S/C7H12FNO3/c8-1-2-9-6(10)5-7-11-3-4-12-7/h7H,1-5H2,(H,9,10)
InChIKeyKFQRTVOPWJFAAY-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.16
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide

2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide (PubChem CID 130684184) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide
PubChem CID130684184
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide
SMILESO=C(CC1OCCO1)NCCF
InChIInChI=1S/C7H12FNO3/c8-1-2-9-6(10)5-7-11-3-4-12-7/h7H,1-5H2,(H,9,10)
InChIKeyKFQRTVOPWJFAAY-UHFFFAOYSA-N
XLogP-0.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide (CID 130684184) is 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide is O=C(CC1OCCO1)NCCF.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide?
The InChIKey is KFQRTVOPWJFAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-1-2-9-6(10)5-7-11-3-4-12-7/h7H,1-5H2,(H,9,10).
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide?
2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide has a molecular weight of 177.17 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 130684184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).