3-fluoro-1,3-di(propan-2-yl)azetidine

C9H18FN — CID 135165437

IUPAC3-fluoro-1,3-di(propan-2-yl)azetidine
SMILESCC(C)N1CC(F)(C(C)C)C1
InChIInChI=1S/C9H18FN/c1-7(2)9(10)5-11(6-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyYBARXEXVNZTATM-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.07
Rot. Bonds2

About 3-fluoro-1,3-di(propan-2-yl)azetidine

3-fluoro-1,3-di(propan-2-yl)azetidine (PubChem CID 135165437) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-1,3-di(propan-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-1,3-di(propan-2-yl)azetidine
PubChem CID135165437
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-1,3-di(propan-2-yl)azetidine
SMILESCC(C)N1CC(F)(C(C)C)C1
InChIInChI=1S/C9H18FN/c1-7(2)9(10)5-11(6-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyYBARXEXVNZTATM-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3-di(propan-2-yl)azetidine?
The IUPAC name of 3-fluoro-1,3-di(propan-2-yl)azetidine (CID 135165437) is 3-fluoro-1,3-di(propan-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-1,3-di(propan-2-yl)azetidine?
The canonical SMILES for 3-fluoro-1,3-di(propan-2-yl)azetidine is CC(C)N1CC(F)(C(C)C)C1.
What is the InChIKey of 3-fluoro-1,3-di(propan-2-yl)azetidine?
The InChIKey is YBARXEXVNZTATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9(10)5-11(6-9)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-1,3-di(propan-2-yl)azetidine?
3-fluoro-1,3-di(propan-2-yl)azetidine has a molecular weight of 159.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3-di(propan-2-yl)azetidine is sourced from PubChem (CID 135165437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).