1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol

C6H9F2NO — CID 162588654

IUPAC1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO/c1-4(10)5-2-6(7,8)3-9-5/h5,9-10H,1-3H2/t5-/m0/s1
InChIKeyYKRVELGXFWPYHG-YFKPBYRVSA-N
MW149.14 g/mol
LogP1.06
Rot. Bonds1

About 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol

1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol (PubChem CID 162588654) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol
PubChem CID162588654
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO/c1-4(10)5-2-6(7,8)3-9-5/h5,9-10H,1-3H2/t5-/m0/s1
InChIKeyYKRVELGXFWPYHG-YFKPBYRVSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol?
The IUPAC name of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol (CID 162588654) is 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol.
What is the SMILES notation for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol?
The canonical SMILES for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol is C=C(O)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol?
The InChIKey is YKRVELGXFWPYHG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-4(10)5-2-6(7,8)3-9-5/h5,9-10H,1-3H2/t5-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol?
1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol has a molecular weight of 149.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethenol is sourced from PubChem (CID 162588654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).