3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine

C10H20FNO — CID 140959055

IUPAC3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OCC1(F)CN(C(C)C)C1
InChIInChI=1S/C10H20FNO/c1-8(2)12-5-10(11,6-12)7-13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKNDPHROJPJENPD-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds4

About 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine

3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine (PubChem CID 140959055) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
PubChem CID140959055
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OCC1(F)CN(C(C)C)C1
InChIInChI=1S/C10H20FNO/c1-8(2)12-5-10(11,6-12)7-13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKNDPHROJPJENPD-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The IUPAC name of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine (CID 140959055) is 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The canonical SMILES for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine is CC(C)OCC1(F)CN(C(C)C)C1.
What is the InChIKey of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
The InChIKey is KNDPHROJPJENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)12-5-10(11,6-12)7-13-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine?
3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine has a molecular weight of 189.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine is sourced from PubChem (CID 140959055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).