(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine

C7H13F2NO — CID 167254816

IUPAC(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine
SMILESCO[C@@H](C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-5(11-3)6-7(8,9)4-10(6)2/h5-6H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyMHHRXNXTMLBVKB-NTSWFWBYSA-N
MW165.18 g/mol
LogP0.97
Rot. Bonds2

About (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine

(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine (PubChem CID 167254816) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine
PubChem CID167254816
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine
SMILESCO[C@@H](C)[C@H]1N(C)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-5(11-3)6-7(8,9)4-10(6)2/h5-6H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyMHHRXNXTMLBVKB-NTSWFWBYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoroethyl)-2-(methoxymethyl)azetidine
CID 130987507
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
3-(Difluoromethoxy)-1-propan-2-ylazetidine
CID 146385462
2-(1,1-Difluorobutoxymethyl)-1-ethylazetidine
CID 162762242
2-(1,1-Difluoroethoxymethyl)-1-methylazetidine;ethane
CID 162764037
1-Propan-2-yl-2-(trifluoromethoxymethyl)azetidine
CID 164726540
(2S)-2-(methoxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
CID 167030997
1-(2,2-Difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
CID 167031001
2-(Propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
CID 167031002
(2R)-3-fluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine
CID 167254824
(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)azetidine
CID 169848943

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine?
The IUPAC name of (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine (CID 167254816) is (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine.
What is the SMILES notation for (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine?
The canonical SMILES for (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine is CO[C@@H](C)[C@H]1N(C)CC1(F)F.
What is the InChIKey of (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine?
The InChIKey is MHHRXNXTMLBVKB-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(11-3)6-7(8,9)4-10(6)2/h5-6H,4H2,1-3H3/t5-,6+/m0/s1.
What are the key properties of (2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine?
(2R)-3,3-difluoro-2-[(1S)-1-methoxyethyl]-1-methylazetidine has a molecular weight of 165.18 g/mol, XLogP of 0.97, 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-2-[(1S)-1-methoxyethyl]-1-methylazetidine is sourced from PubChem (CID 167254816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).