3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine

C8H15F2NO — CID 131973521

IUPAC3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-7(2)12-4-3-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeyCKMPNPABDRZMRS-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds4

About 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine

3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 131973521) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID131973521
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCN1CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-7(2)12-4-3-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3
InChIKeyCKMPNPABDRZMRS-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine (CID 131973521) is 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is CKMPNPABDRZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2)12-4-3-11-5-8(9,10)6-11/h7H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine?
3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 131973521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).