(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine

C7H13F2NO — CID 139364631

IUPAC(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CN(C)C[C@@H]1C(F)F
InChIInChI=1S/C7H13F2NO/c1-10-3-5(7(8)9)6(4-10)11-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUWCQVMNLGQHPCY-WDSKDSINSA-N
MW165.18 g/mol
LogP0.83
Rot. Bonds2

About (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine

(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine (PubChem CID 139364631) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine
PubChem CID139364631
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CN(C)C[C@@H]1C(F)F
InChIInChI=1S/C7H13F2NO/c1-10-3-5(7(8)9)6(4-10)11-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUWCQVMNLGQHPCY-WDSKDSINSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine?
The IUPAC name of (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine (CID 139364631) is (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine.
What is the SMILES notation for (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine?
The canonical SMILES for (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine is CO[C@H]1CN(C)C[C@@H]1C(F)F.
What is the InChIKey of (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine?
The InChIKey is UWCQVMNLGQHPCY-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-5(7(8)9)6(4-10)11-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine?
(3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(difluoromethyl)-4-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 139364631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).