3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine

C10H20FN — CID 174321952

IUPAC3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine
SMILESCC(C)CN1CC(F)(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)5-12-6-10(11,7-12)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyDWENHGRUPXDJRH-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.32
Rot. Bonds3

About 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine

3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine (PubChem CID 174321952) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine
PubChem CID174321952
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine
SMILESCC(C)CN1CC(F)(C(C)C)C1
InChIInChI=1S/C10H20FN/c1-8(2)5-12-6-10(11,7-12)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyDWENHGRUPXDJRH-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine?
The IUPAC name of 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine (CID 174321952) is 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine?
The canonical SMILES for 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine is CC(C)CN1CC(F)(C(C)C)C1.
What is the InChIKey of 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine?
The InChIKey is DWENHGRUPXDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(2)5-12-6-10(11,7-12)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine?
3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine has a molecular weight of 173.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpropyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 174321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).