4,4-difluoro-3-methylpyrrolidin-3-ol

C5H9F2NO — CID 166166240

IUPAC4,4-difluoro-3-methylpyrrolidin-3-ol
SMILESCC1(O)CNCC1(F)F
InChIInChI=1S/C5H9F2NO/c1-4(9)2-8-3-5(4,6)7/h8-9H,2-3H2,1H3
InChIKeyXIQYAQRAJKESRZ-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.02
Rot. Bonds

About 4,4-difluoro-3-methylpyrrolidin-3-ol

4,4-difluoro-3-methylpyrrolidin-3-ol (PubChem CID 166166240) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3-methylpyrrolidin-3-ol
PubChem CID166166240
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name4,4-difluoro-3-methylpyrrolidin-3-ol
SMILESCC1(O)CNCC1(F)F
InChIInChI=1S/C5H9F2NO/c1-4(9)2-8-3-5(4,6)7/h8-9H,2-3H2,1H3
InChIKeyXIQYAQRAJKESRZ-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpyrrolidin-3-ol?
The IUPAC name of 4,4-difluoro-3-methylpyrrolidin-3-ol (CID 166166240) is 4,4-difluoro-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 4,4-difluoro-3-methylpyrrolidin-3-ol?
The canonical SMILES for 4,4-difluoro-3-methylpyrrolidin-3-ol is CC1(O)CNCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpyrrolidin-3-ol?
The InChIKey is XIQYAQRAJKESRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-4(9)2-8-3-5(4,6)7/h8-9H,2-3H2,1H3.
What are the key properties of 4,4-difluoro-3-methylpyrrolidin-3-ol?
4,4-difluoro-3-methylpyrrolidin-3-ol has a molecular weight of 137.13 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 166166240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).