(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H20FNO — CID 177126188

IUPAC(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@H]1[C@H](F)C[C@@H](C)N1C
InChIInChI=1S/C10H20FNO/c1-7(2)13-6-10-9(11)5-8(3)12(10)4/h7-10H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyMQIJVJDUGUPMHQ-BBBLOLIVSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds3

About (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 177126188) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID177126188
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@H]1[C@H](F)C[C@@H](C)N1C
InChIInChI=1S/C10H20FNO/c1-7(2)13-6-10-9(11)5-8(3)12(10)4/h7-10H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyMQIJVJDUGUPMHQ-BBBLOLIVSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 177126188) is (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@H]1[C@H](F)C[C@@H](C)N1C.
What is the InChIKey of (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is MQIJVJDUGUPMHQ-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(2)13-6-10-9(11)5-8(3)12(10)4/h7-10H,5-6H2,1-4H3/t8-,9-,10+/m1/s1.
What are the key properties of (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-3-fluoro-1,5-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 177126188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).