(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C10H19F2NO — CID 166533758

IUPAC(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)14-8(3)9-5-10(11,12)6-13(9)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyXZTOKPOUFLJIDT-IUCAKERBSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds3

About (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 166533758) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID166533758
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)14-8(3)9-5-10(11,12)6-13(9)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyXZTOKPOUFLJIDT-IUCAKERBSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 166533758) is (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)[C@@H]1CC(F)(F)CN1C.
What is the InChIKey of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is XZTOKPOUFLJIDT-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)14-8(3)9-5-10(11,12)6-13(9)4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 166533758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).