N-[(1-fluorocyclobutyl)methyl]but-2-ynamide

C9H12FNO — CID 130660223

IUPACN-[(1-fluorocyclobutyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(F)CCC1
InChIInChI=1S/C9H12FNO/c1-2-4-8(12)11-7-9(10)5-3-6-9/h3,5-7H2,1H3,(H,11,12)
InChIKeyMAWZHIGVLIHZQV-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.02
Rot. Bonds2

About N-[(1-fluorocyclobutyl)methyl]but-2-ynamide

N-[(1-fluorocyclobutyl)methyl]but-2-ynamide (PubChem CID 130660223) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]but-2-ynamide
PubChem CID130660223
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(1-fluorocyclobutyl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(F)CCC1
InChIInChI=1S/C9H12FNO/c1-2-4-8(12)11-7-9(10)5-3-6-9/h3,5-7H2,1H3,(H,11,12)
InChIKeyMAWZHIGVLIHZQV-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]but-2-ynamide?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]but-2-ynamide (CID 130660223) is N-[(1-fluorocyclobutyl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]but-2-ynamide?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]but-2-ynamide is CC#CC(=O)NCC1(F)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]but-2-ynamide?
The InChIKey is MAWZHIGVLIHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-4-8(12)11-7-9(10)5-3-6-9/h3,5-7H2,1H3,(H,11,12).
What are the key properties of N-[(1-fluorocyclobutyl)methyl]but-2-ynamide?
N-[(1-fluorocyclobutyl)methyl]but-2-ynamide has a molecular weight of 169.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]but-2-ynamide is sourced from PubChem (CID 130660223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).