1-(azetidin-3-ylidene)-1-fluoropropan-2-amine

C6H11FN2 — CID 90920575

IUPAC1-(azetidin-3-ylidene)-1-fluoropropan-2-amine
SMILESCC(N)C(F)=C1CNC1
InChIInChI=1S/C6H11FN2/c1-4(8)6(7)5-2-9-3-5/h4,9H,2-3,8H2,1H3
InChIKeyCFDNIDIXQFLCSQ-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.16
Rot. Bonds1

About 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine

1-(azetidin-3-ylidene)-1-fluoropropan-2-amine (PubChem CID 90920575) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(azetidin-3-ylidene)-1-fluoropropan-2-amine
PubChem CID90920575
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name1-(azetidin-3-ylidene)-1-fluoropropan-2-amine
SMILESCC(N)C(F)=C1CNC1
InChIInChI=1S/C6H11FN2/c1-4(8)6(7)5-2-9-3-5/h4,9H,2-3,8H2,1H3
InChIKeyCFDNIDIXQFLCSQ-UHFFFAOYSA-N
XLogP0.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine?
The IUPAC name of 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine (CID 90920575) is 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine.
What is the SMILES notation for 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine?
The canonical SMILES for 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine is CC(N)C(F)=C1CNC1.
What is the InChIKey of 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine?
The InChIKey is CFDNIDIXQFLCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(8)6(7)5-2-9-3-5/h4,9H,2-3,8H2,1H3.
What are the key properties of 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine?
1-(azetidin-3-ylidene)-1-fluoropropan-2-amine has a molecular weight of 130.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylidene)-1-fluoropropan-2-amine is sourced from PubChem (CID 90920575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).