N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide

C8H12FNO — CID 166410463

IUPACN-[3-(fluoromethyl)cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(CF)C1
InChIInChI=1S/C8H12FNO/c1-2-8(11)10-7-3-6(4-7)5-9/h2,6-7H,1,3-5H2,(H,10,11)
InChIKeyPSBWMKKFBJMXNN-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.04
Rot. Bonds3

About N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide

N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide (PubChem CID 166410463) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(fluoromethyl)cyclobutyl]prop-2-enamide
PubChem CID166410463
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-[3-(fluoromethyl)cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(CF)C1
InChIInChI=1S/C8H12FNO/c1-2-8(11)10-7-3-6(4-7)5-9/h2,6-7H,1,3-5H2,(H,10,11)
InChIKeyPSBWMKKFBJMXNN-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide?
The IUPAC name of N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide (CID 166410463) is N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide.
What is the SMILES notation for N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide?
The canonical SMILES for N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide is C=CC(=O)NC1CC(CF)C1.
What is the InChIKey of N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide?
The InChIKey is PSBWMKKFBJMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-8(11)10-7-3-6(4-7)5-9/h2,6-7H,1,3-5H2,(H,10,11).
What are the key properties of N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide?
N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide has a molecular weight of 157.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoromethyl)cyclobutyl]prop-2-enamide is sourced from PubChem (CID 166410463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).