3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine

C13H14FN — CID 43632505

IUPAC3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2
InChIKeyHXBNGWLBYQKAPX-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.29
Rot. Bonds3

About 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine

3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 43632505) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
PubChem CID43632505
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2
InChIKeyHXBNGWLBYQKAPX-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.29
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 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine (CID 43632505) is 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is HXBNGWLBYQKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2.
What are the key properties of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 203.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 43632505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).