N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide

C9H16FNO2 — CID 154946901

IUPACN-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide
SMILESCC(=O)NC(C)COC1CC(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(11-7(2)12)5-13-9-3-8(10)4-9/h6,8-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDXQAYRHIUTVJHT-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds4

About N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide

N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide (PubChem CID 154946901) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide
PubChem CID154946901
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide
SMILESCC(=O)NC(C)COC1CC(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(11-7(2)12)5-13-9-3-8(10)4-9/h6,8-9H,3-5H2,1-2H3,(H,11,12)
InChIKeyDXQAYRHIUTVJHT-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide?
The IUPAC name of N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide (CID 154946901) is N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide is CC(=O)NC(C)COC1CC(F)C1.
What is the InChIKey of N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide?
The InChIKey is DXQAYRHIUTVJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6(11-7(2)12)5-13-9-3-8(10)4-9/h6,8-9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide?
N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide has a molecular weight of 189.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide is sourced from PubChem (CID 154946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).