3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine

C8H14FN — CID 112563988

IUPAC3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
SMILESCC(C)=CC1(F)CC(N)C1
InChIInChI=1S/C8H14FN/c1-6(2)3-8(9)4-7(10)5-8/h3,7H,4-5,10H2,1-2H3
InChIKeyUTDXGKOQSQBVCO-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.78
Rot. Bonds1

About 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine

3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine (PubChem CID 112563988) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
PubChem CID112563988
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine
SMILESCC(C)=CC1(F)CC(N)C1
InChIInChI=1S/C8H14FN/c1-6(2)3-8(9)4-7(10)5-8/h3,7H,4-5,10H2,1-2H3
InChIKeyUTDXGKOQSQBVCO-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine (CID 112563988) is 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine is CC(C)=CC1(F)CC(N)C1.
What is the InChIKey of 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine?
The InChIKey is UTDXGKOQSQBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)3-8(9)4-7(10)5-8/h3,7H,4-5,10H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine?
3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine has a molecular weight of 143.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylprop-1-enyl)cyclobutan-1-amine is sourced from PubChem (CID 112563988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).