(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine

C9H17F2N — CID 156793083

IUPAC(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2N/c1-7(2)4-8-5-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyRTZPYSWVTGNVHP-QMMMGPOBSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds2

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

(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 156793083) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID156793083
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2N/c1-7(2)4-8-5-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyRTZPYSWVTGNVHP-QMMMGPOBSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
1,4-Dimethyl-2-n-propyl-pyrrolidine
CID 89311502
2,2,3,3,4,4,5-Heptafluoro-5-methyl-1-(4-methylcyclohexyl)pyrrolidine
CID 18538152
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
2-(1,1-Difluoropropyl)-1-methylpyrrolidine
CID 54481824
(2R)-1-(fluoromethyl)-2-(2-methylpropyl)pyrrolidine
CID 57733761
1,2-Ditert-butyl-4,4-difluoropyrrolidine
CID 58185622
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(2R)-1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279604
(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine
CID 58279607

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine (CID 156793083) is (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)C[C@H]1CC(F)(F)CN1C.
What is the InChIKey of (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is RTZPYSWVTGNVHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)4-8-5-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine?
(2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 156793083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).