(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine

C9H18FN — CID 155459347

IUPAC(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1C[C@H](F)CN1C
InChIInChI=1S/C9H18FN/c1-7(2)4-9-5-8(10)6-11(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyNQQGJVKNOBYIAL-DTWKUNHWSA-N
MW159.25 g/mol
LogP2.07
Rot. Bonds2

About (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine

(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 155459347) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID155459347
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1C[C@H](F)CN1C
InChIInChI=1S/C9H18FN/c1-7(2)4-9-5-8(10)6-11(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyNQQGJVKNOBYIAL-DTWKUNHWSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972119
4-(difluoromethoxy)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 170097467
(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 155459355
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
[1-methyl-5-(2-methylpropyl)pyrrolidin-3-yl] acetate
CID 176937657
(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine
CID 175795537
1,5-dimethyl-2-(2-methylpropyl)-4-propylpiperazine
CID 70794935
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622
5-cyclopropyl-1-methyl-2-(2-methylpropyl)piperazine
CID 64860315
2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
CID 164922414
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
CID 130410184
(3R,5S)-1-(2-methoxyethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995610

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine (CID 155459347) is (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)C[C@@H]1C[C@H](F)CN1C.
What is the InChIKey of (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is NQQGJVKNOBYIAL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)4-9-5-8(10)6-11(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 155459347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).