(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine

C8H15F2NO — CID 168881291

IUPAC(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1[C@@H](C(F)F)CCN1C
InChIInChI=1S/C8H15F2NO/c1-11-4-3-6(8(9)10)7(11)5-12-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyLJCKPQHAEAELNE-NKWVEPMBSA-N
MW179.21 g/mol
LogP1.22
Rot. Bonds3

About (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine

(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 168881291) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID168881291
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1[C@@H](C(F)F)CCN1C
InChIInChI=1S/C8H15F2NO/c1-11-4-3-6(8(9)10)7(11)5-12-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyLJCKPQHAEAELNE-NKWVEPMBSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine (CID 168881291) is (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine is COC[C@@H]1[C@@H](C(F)F)CCN1C.
What is the InChIKey of (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is LJCKPQHAEAELNE-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-3-6(8(9)10)7(11)5-12-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
(2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 168881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).