[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol

C8H15F2NO — CID 102788643

IUPAC[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(F)F)C1CO
InChIInChI=1S/C8H15F2NO/c1-6-2-3-11(4-8(9)10)7(6)5-12/h6-8,12H,2-5H2,1H3
InChIKeyMAMKMGNQJMXGTL-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds3

About [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol

[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788643) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788643
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC(F)F)C1CO
InChIInChI=1S/C8H15F2NO/c1-6-2-3-11(4-8(9)10)7(6)5-12/h6-8,12H,2-5H2,1H3
InChIKeyMAMKMGNQJMXGTL-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol (CID 102788643) is [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC(F)F)C1CO.
What is the InChIKey of [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is MAMKMGNQJMXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-2-3-11(4-8(9)10)7(6)5-12/h6-8,12H,2-5H2,1H3.
What are the key properties of [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).