3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine

C7H15FN2 — CID 121201628

IUPAC3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
SMILESNCCCN1CC(CF)C1
InChIInChI=1S/C7H15FN2/c8-4-7-5-10(6-7)3-1-2-9/h7H,1-6,9H2
InChIKeyUNPVXLRSXSBIEM-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.24
Rot. Bonds4

About 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine

3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine (PubChem CID 121201628) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
PubChem CID121201628
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
SMILESNCCCN1CC(CF)C1
InChIInChI=1S/C7H15FN2/c8-4-7-5-10(6-7)3-1-2-9/h7H,1-6,9H2
InChIKeyUNPVXLRSXSBIEM-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine (CID 121201628) is 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine is NCCCN1CC(CF)C1.
What is the InChIKey of 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine?
The InChIKey is UNPVXLRSXSBIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c8-4-7-5-10(6-7)3-1-2-9/h7H,1-6,9H2.
What are the key properties of 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine?
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine has a molecular weight of 146.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine is sourced from PubChem (CID 121201628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).