(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine

C11H22FN — CID 122451393

IUPAC(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@@H](F)[C@H](C)N1C(C)C
InChIInChI=1S/C11H22FN/c1-7(2)11-6-10(12)9(5)13(11)8(3)4/h7-11H,6H2,1-5H3/t9-,10+,11-/m0/s1
InChIKeyAFMORSIRBGMGFN-AXFHLTTASA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds2

About (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine

(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 122451393) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine
PubChem CID122451393
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@@H](F)[C@H](C)N1C(C)C
InChIInChI=1S/C11H22FN/c1-7(2)11-6-10(12)9(5)13(11)8(3)4/h7-11H,6H2,1-5H3/t9-,10+,11-/m0/s1
InChIKeyAFMORSIRBGMGFN-AXFHLTTASA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine (CID 122451393) is (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1C[C@@H](F)[C@H](C)N1C(C)C.
What is the InChIKey of (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is AFMORSIRBGMGFN-AXFHLTTASA-N. The full InChI is InChI=1S/C11H22FN/c1-7(2)11-6-10(12)9(5)13(11)8(3)4/h7-11H,6H2,1-5H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine?
(2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-3-fluoro-2-methyl-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 122451393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).