(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine

C12H23F2NO — CID 177009129

IUPAC(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine
SMILESCCOC[C@]1(C)C[C@@H](C(C)C(F)F)CN1C
InChIInChI=1S/C12H23F2NO/c1-5-16-8-12(3)6-10(7-15(12)4)9(2)11(13)14/h9-11H,5-8H2,1-4H3/t9?,10-,12+/m1/s1
InChIKeyUYKRRSKTZGJDDV-YWTFCRFGSA-N
MW235.32 g/mol
LogP2.63
Rot. Bonds5

About (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine

(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine (PubChem CID 177009129) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine
PubChem CID177009129
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine
SMILESCCOC[C@]1(C)C[C@@H](C(C)C(F)F)CN1C
InChIInChI=1S/C12H23F2NO/c1-5-16-8-12(3)6-10(7-15(12)4)9(2)11(13)14/h9-11H,5-8H2,1-4H3/t9?,10-,12+/m1/s1
InChIKeyUYKRRSKTZGJDDV-YWTFCRFGSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine?
The IUPAC name of (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine (CID 177009129) is (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine?
The canonical SMILES for (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine is CCOC[C@]1(C)C[C@@H](C(C)C(F)F)CN1C.
What is the InChIKey of (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine?
The InChIKey is UYKRRSKTZGJDDV-YWTFCRFGSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-5-16-8-12(3)6-10(7-15(12)4)9(2)11(13)14/h9-11H,5-8H2,1-4H3/t9?,10-,12+/m1/s1.
What are the key properties of (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine?
(2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine has a molecular weight of 235.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(1,1-difluoropropan-2-yl)-2-(ethoxymethyl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 177009129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).