(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine

C9H17F2NO — CID 170212214

IUPAC(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine
SMILESCC(C)O[C@@H](C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-9(10,11)5-12(8)4/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyKKDOBWPUZMAZFH-JGVFFNPUSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine

(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine (PubChem CID 170212214) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine
PubChem CID170212214
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine
SMILESCC(C)O[C@@H](C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-9(10,11)5-12(8)4/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyKKDOBWPUZMAZFH-JGVFFNPUSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine?
The IUPAC name of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine (CID 170212214) is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine.
What is the SMILES notation for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine?
The canonical SMILES for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine is CC(C)O[C@@H](C)[C@H]1N(C)CC1(F)F.
What is the InChIKey of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine?
The InChIKey is KKDOBWPUZMAZFH-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-9(10,11)5-12(8)4/h6-8H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine?
(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine is sourced from PubChem (CID 170212214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).