[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C11H19F2NO — CID 129348547

IUPAC[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN(CC2CC(F)(F)C2)[C@@H]1CO
InChIInChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyNIDJZPNUIOLXPR-PSASIEDQSA-N
MW219.27 g/mol
LogP1.73
Rot. Bonds3

About [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 129348547) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID129348547
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN(CC2CC(F)(F)C2)[C@@H]1CO
InChIInChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyNIDJZPNUIOLXPR-PSASIEDQSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 129348547) is [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol is C[C@@H]1CCN(CC2CC(F)(F)C2)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is NIDJZPNUIOLXPR-PSASIEDQSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8-2-3-14(10(8)7-15)6-9-4-11(12,13)5-9/h8-10,15H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 219.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-[(3,3-difluorocyclobutyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 129348547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).