(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H20FNO — CID 177126147

IUPAC(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(CF)CCCN1C
InChIInChI=1S/C10H20FNO/c1-9(2)13-8-10(7-11)5-4-6-12(10)3/h9H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyOHLGUNWXFXABAG-SNVBAGLBSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds4

About (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 177126147) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID177126147
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@]1(CF)CCCN1C
InChIInChI=1S/C10H20FNO/c1-9(2)13-8-10(7-11)5-4-6-12(10)3/h9H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyOHLGUNWXFXABAG-SNVBAGLBSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 177126147) is (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@]1(CF)CCCN1C.
What is the InChIKey of (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is OHLGUNWXFXABAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-8-10(7-11)5-4-6-12(10)3/h9H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 177126147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).