(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine

C10H19F2NO — CID 171756029

IUPAC(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-7(14-9(2,3)4)8-10(11,12)6-13(8)5/h7-8H,6H2,1-5H3/t7-,8+/m0/s1
InChIKeyGETJWEJREULCHC-JGVFFNPUSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds2

About (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine

(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (PubChem CID 171756029) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
PubChem CID171756029
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C10H19F2NO/c1-7(14-9(2,3)4)8-10(11,12)6-13(8)5/h7-8H,6H2,1-5H3/t7-,8+/m0/s1
InChIKeyGETJWEJREULCHC-JGVFFNPUSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419189
1-Propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137471188
1-Tert-butyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137536748
3-(Difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
CID 140959012
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987
3-Ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 146303101
3-[(2-Methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
CID 153420388
2-(1,1-Difluorobutoxymethyl)-1-ethylazetidine
CID 162762242
2-(1,1-Difluoroethoxymethyl)-1-methylazetidine;ethane
CID 162764037
1-(2,2-Difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
CID 167031001
2-(Propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
CID 167031002

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The IUPAC name of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (CID 171756029) is (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.
What is the SMILES notation for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The canonical SMILES for (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is C[C@H](OC(C)(C)C)[C@H]1N(C)CC1(F)F.
What is the InChIKey of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The InChIKey is GETJWEJREULCHC-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(14-9(2,3)4)8-10(11,12)6-13(8)5/h7-8H,6H2,1-5H3/t7-,8+/m0/s1.
What are the key properties of (2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
(2R)-3,3-difluoro-1-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]azetidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 2 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-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is sourced from PubChem (CID 171756029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).