(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane

C7H13F4NO — CID 178087871

IUPAC(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane
SMILESCC.FC(F)OC[C@@H]1NCC1(F)F
InChIInChI=1S/C5H7F4NO.C2H6/c6-4(7)11-1-3-5(8,9)2-10-3;1-2/h3-4,10H,1-2H2;1-2H3/t3-;/m0./s1
InChIKeyFZGSHSLQRNSGNP-DFWYDOINSA-N
MW203.18 g/mol
LogP1.86
Rot. Bonds3

About (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane

(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane (PubChem CID 178087871) has the molecular formula C7H13F4NO and a molecular weight of 203.18 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane
PubChem CID178087871
Molecular FormulaC7H13F4NO
Molecular Weight203.18 g/mol
Exact Mass203.09
IUPAC Name(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane
SMILESCC.FC(F)OC[C@@H]1NCC1(F)F
InChIInChI=1S/C5H7F4NO.C2H6/c6-4(7)11-1-3-5(8,9)2-10-3;1-2/h3-4,10H,1-2H2;1-2H3/t3-;/m0./s1
InChIKeyFZGSHSLQRNSGNP-DFWYDOINSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane?
The IUPAC name of (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane (CID 178087871) is (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane.
What is the SMILES notation for (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane?
The canonical SMILES for (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane is CC.FC(F)OC[C@@H]1NCC1(F)F.
What is the InChIKey of (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane?
The InChIKey is FZGSHSLQRNSGNP-DFWYDOINSA-N. The full InChI is InChI=1S/C5H7F4NO.C2H6/c6-4(7)11-1-3-5(8,9)2-10-3;1-2/h3-4,10H,1-2H2;1-2H3/t3-;/m0./s1.
What are the key properties of (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane?
(2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane has a molecular weight of 203.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxymethyl)-3,3-difluoroazetidine;ethane is sourced from PubChem (CID 178087871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).