[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

C9H17F2NO — CID 175319242

IUPAC[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C9H17F2NO/c1-7(2)4-12-6-9(10,11)3-8(12)5-13/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyKAUQEAIUTKCJRZ-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds3

About [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 175319242) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
PubChem CID175319242
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(F)(F)C[C@H]1CO
InChIInChI=1S/C9H17F2NO/c1-7(2)4-12-6-9(10,11)3-8(12)5-13/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyKAUQEAIUTKCJRZ-QMMMGPOBSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (CID 175319242) is [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is CC(C)CN1CC(F)(F)C[C@H]1CO.
What is the InChIKey of [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is KAUQEAIUTKCJRZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)4-12-6-9(10,11)3-8(12)5-13/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
[(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 175319242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).