(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine

C8H14F3NO — CID 167294424

IUPAC(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@H](C(F)(F)F)CN1C
InChIInChI=1S/C8H14F3NO/c1-12-4-6(8(9,10)11)3-7(12)5-13-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJNHQWQSDARAYNB-BQBZGAKWSA-N
MW197.20 g/mol
LogP1.52
Rot. Bonds2

About (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine

(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine (PubChem CID 167294424) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
PubChem CID167294424
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@H](C(F)(F)F)CN1C
InChIInChI=1S/C8H14F3NO/c1-12-4-6(8(9,10)11)3-7(12)5-13-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyJNHQWQSDARAYNB-BQBZGAKWSA-N
XLogP1.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine (CID 167294424) is (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine is COC[C@@H]1C[C@H](C(F)(F)F)CN1C.
What is the InChIKey of (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine?
The InChIKey is JNHQWQSDARAYNB-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-6(8(9,10)11)3-7(12)5-13-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine?
(2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(methoxymethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 167294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).