(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C11H22FNO — CID 175612151

IUPAC(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@H]1N(C)CCC1(C)F
InChIInChI=1S/C11H22FNO/c1-8(2)14-9(3)10-11(4,12)6-7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10+,11?/m0/s1
InChIKeyDGSDOFXOSNZHRO-MTULOOOASA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds3

About (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 175612151) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID175612151
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)[C@H]1N(C)CCC1(C)F
InChIInChI=1S/C11H22FNO/c1-8(2)14-9(3)10-11(4,12)6-7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10+,11?/m0/s1
InChIKeyDGSDOFXOSNZHRO-MTULOOOASA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 175612151) is (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)[C@H]1N(C)CCC1(C)F.
What is the InChIKey of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is DGSDOFXOSNZHRO-MTULOOOASA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)14-9(3)10-11(4,12)6-7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10+,11?/m0/s1.
What are the key properties of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 175612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).