(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine

C7H12F3NO — CID 168881077

IUPAC(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
SMILESCOC[C@H]1NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-12-4-6-5(2-3-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeySFVSNUGPKQMFGR-NTSWFWBYSA-N
MW183.17 g/mol
LogP1.17
Rot. Bonds2

About (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine

(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 168881077) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID168881077
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine
SMILESCOC[C@H]1NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-12-4-6-5(2-3-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeySFVSNUGPKQMFGR-NTSWFWBYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine (CID 168881077) is (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine is COC[C@H]1NCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is SFVSNUGPKQMFGR-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-4-6-5(2-3-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine?
(2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 168881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).