(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol

C8H15F2NO — CID 174346047

IUPAC(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(F)(F)[C@@](C)(O)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-7(3,12)8(9,10)5-11/h6,12H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyMYTZIDVYBLHFTO-ZETCQYMHSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds1

About (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol

(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 174346047) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
PubChem CID174346047
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CC(F)(F)[C@@](C)(O)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-7(3,12)8(9,10)5-11/h6,12H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyMYTZIDVYBLHFTO-ZETCQYMHSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol (CID 174346047) is (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CC(F)(F)[C@@](C)(O)C1.
What is the InChIKey of (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is MYTZIDVYBLHFTO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-4-7(3,12)8(9,10)5-11/h6,12H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol?
(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 174346047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).