N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C8H12FNO2 — CID 130023837

IUPACN-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(=O)NC1CC(CO)C=C1F
InChIInChI=1S/C8H12FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h2,6,8,11H,3-4H2,1H3,(H,10,12)
InChIKeySRQZXVSVKZWWAI-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.36
Rot. Bonds2

About N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 130023837) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID130023837
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC NameN-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(=O)NC1CC(CO)C=C1F
InChIInChI=1S/C8H12FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h2,6,8,11H,3-4H2,1H3,(H,10,12)
InChIKeySRQZXVSVKZWWAI-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 130023837) is N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is CC(=O)NC1CC(CO)C=C1F.
What is the InChIKey of N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is SRQZXVSVKZWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-5(12)10-8-3-6(4-11)2-7(8)9/h2,6,8,11H,3-4H2,1H3,(H,10,12).
What are the key properties of N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 173.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 130023837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).