3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine

C9H17F2NO — CID 146595815

IUPAC3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(F)(CF)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-4-3-12-6-9(11,5-10)7-12/h8H,3-7H2,1-2H3
InChIKeyYDHGKVRREPFLFJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.40
Rot. Bonds5

About 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine

3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 146595815) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID146595815
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(F)(CF)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-4-3-12-6-9(11,5-10)7-12/h8H,3-7H2,1-2H3
InChIKeyYDHGKVRREPFLFJ-UHFFFAOYSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine (CID 146595815) is 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCN1CC(F)(CF)C1.
What is the InChIKey of 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is YDHGKVRREPFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2)13-4-3-12-6-9(11,5-10)7-12/h8H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine?
3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 146595815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).