1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol

C13H25F2NO — CID 129190742

IUPAC1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol
SMILESCCCC(CCC)N1CC(F)(F)C[C@@H]1C(C)O
InChIInChI=1S/C13H25F2NO/c1-4-6-11(7-5-2)16-9-13(14,15)8-12(16)10(3)17/h10-12,17H,4-9H2,1-3H3/t10?,12-/m1/s1
InChIKeyIZDHOORJHLRFKU-TVKKRMFBSA-N
MW249.34 g/mol
LogP3.05
Rot. Bonds6

About 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol

1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol (PubChem CID 129190742) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol
PubChem CID129190742
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol
SMILESCCCC(CCC)N1CC(F)(F)C[C@@H]1C(C)O
InChIInChI=1S/C13H25F2NO/c1-4-6-11(7-5-2)16-9-13(14,15)8-12(16)10(3)17/h10-12,17H,4-9H2,1-3H3/t10?,12-/m1/s1
InChIKeyIZDHOORJHLRFKU-TVKKRMFBSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol (CID 129190742) is 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol is CCCC(CCC)N1CC(F)(F)C[C@@H]1C(C)O.
What is the InChIKey of 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol?
The InChIKey is IZDHOORJHLRFKU-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-6-11(7-5-2)16-9-13(14,15)8-12(16)10(3)17/h10-12,17H,4-9H2,1-3H3/t10?,12-/m1/s1.
What are the key properties of 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol?
1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol has a molecular weight of 249.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 129190742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).