(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine

C7H13F2NO — CID 129297597

IUPAC(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-3-2-4-10(6)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyKGJMCUSNEJBCSC-ZCFIWIBFSA-N
MW165.18 g/mol
LogP1.32
Rot. Bonds3

About (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine

(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 129297597) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID129297597
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(F)F
InChIInChI=1S/C7H13F2NO/c1-11-5-6-3-2-4-10(6)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyKGJMCUSNEJBCSC-ZCFIWIBFSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine (CID 129297597) is (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine is COC[C@H]1CCCN1C(F)F.
What is the InChIKey of (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is KGJMCUSNEJBCSC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-5-6-3-2-4-10(6)7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine?
(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 129297597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).