1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol

C8H15F2NO — CID 105437953

IUPAC1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCN(C)C1
InChIInChI=1S/C8H15F2NO/c1-6(12)8(9,10)7-3-4-11(2)5-7/h6-7,12H,3-5H2,1-2H3
InChIKeyKACUNHHUXSRILF-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds2

About 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol

1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol (PubChem CID 105437953) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
PubChem CID105437953
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCN(C)C1
InChIInChI=1S/C8H15F2NO/c1-6(12)8(9,10)7-3-4-11(2)5-7/h6-7,12H,3-5H2,1-2H3
InChIKeyKACUNHHUXSRILF-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol (CID 105437953) is 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol is CC(O)C(F)(F)C1CCN(C)C1.
What is the InChIKey of 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is KACUNHHUXSRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(12)8(9,10)7-3-4-11(2)5-7/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 105437953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).