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

C10H14FNO — CID 130668086

IUPACN-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCC1(F)CCC1
InChIInChI=1S/C10H14FNO/c1-2-4-9(13)12-8-7-10(11)5-3-6-10/h3,5-8H2,1H3,(H,12,13)
InChIKeyNNHFZJGBNNOLIL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.41
Rot. Bonds3

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

N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide (PubChem CID 130668086) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide
PubChem CID130668086
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide
SMILESCC#CC(=O)NCCC1(F)CCC1
InChIInChI=1S/C10H14FNO/c1-2-4-9(13)12-8-7-10(11)5-3-6-10/h3,5-8H2,1H3,(H,12,13)
InChIKeyNNHFZJGBNNOLIL-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.41
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-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide?
The IUPAC name of N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide (CID 130668086) is N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide.
What is the SMILES notation for N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide?
The canonical SMILES for N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide is CC#CC(=O)NCCC1(F)CCC1.
What is the InChIKey of N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide?
The InChIKey is NNHFZJGBNNOLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-4-9(13)12-8-7-10(11)5-3-6-10/h3,5-8H2,1H3,(H,12,13).
What are the key properties of N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide?
N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide has a molecular weight of 183.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-fluorocyclobutyl)ethyl]but-2-ynamide is sourced from PubChem (CID 130668086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).