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

C8H15F2NO — CID 170357127

IUPAC[2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCCC1(CO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-11-4-2-3-8(11,6-12)5-7(9)10/h7,12H,2-6H2,1H3
InChIKeyUEVMNBYQTICLRW-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds3

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

[2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 170357127) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID170357127
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCCC1(CO)CC(F)F
InChIInChI=1S/C8H15F2NO/c1-11-4-2-3-8(11,6-12)5-7(9)10/h7,12H,2-6H2,1H3
InChIKeyUEVMNBYQTICLRW-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol (CID 170357127) is [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol is CN1CCCC1(CO)CC(F)F.
What is the InChIKey of [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is UEVMNBYQTICLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-2-3-8(11,6-12)5-7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol?
[2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethyl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 170357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).