1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine

C9H17FN2 — CID 145102324

IUPAC1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine
SMILESC=CCNC1CN(CCCF)C1
InChIInChI=1S/C9H17FN2/c1-2-5-11-9-7-12(8-9)6-3-4-10/h2,9,11H,1,3-8H2
InChIKeyHDQICKLKIYSGAS-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.81
Rot. Bonds6

About 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine

1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine (PubChem CID 145102324) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine
PubChem CID145102324
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine
SMILESC=CCNC1CN(CCCF)C1
InChIInChI=1S/C9H17FN2/c1-2-5-11-9-7-12(8-9)6-3-4-10/h2,9,11H,1,3-8H2
InChIKeyHDQICKLKIYSGAS-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine?
The IUPAC name of 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine (CID 145102324) is 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine?
The canonical SMILES for 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine is C=CCNC1CN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine?
The InChIKey is HDQICKLKIYSGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-2-5-11-9-7-12(8-9)6-3-4-10/h2,9,11H,1,3-8H2.
What are the key properties of 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine?
1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine has a molecular weight of 172.25 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine is sourced from PubChem (CID 145102324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).