2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol

C6H11F2NO — CID 91602738

IUPAC2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
SMILESOCC[C@H]1CCNC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)5(2-4-10)1-3-9-6/h5,9-10H,1-4H2/t5-/m1/s1
InChIKeyYEKLXMONMCVANK-RXMQYKEDSA-N
MW151.16 g/mol
LogP0.57
Rot. Bonds2

About 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol

2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol (PubChem CID 91602738) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
PubChem CID91602738
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
SMILESOCC[C@H]1CCNC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)5(2-4-10)1-3-9-6/h5,9-10H,1-4H2/t5-/m1/s1
InChIKeyYEKLXMONMCVANK-RXMQYKEDSA-N
XLogP0.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2-(4,4-difluorooxan-3-yl)ethanol
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2-[5-(2-hydroxyethyl)pyrrolidin-2-yl]ethanol
CID 123879549
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
CID 129407915
ethane;2-piperidin-2-ylethanol
CID 91203064
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
CID 86129641
2-(4-fluoropiperidin-2-yl)ethanol
CID 91521233
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
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CID 105446725

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol (CID 91602738) is 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol is OCC[C@H]1CCNC1(F)F.
What is the InChIKey of 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol?
The InChIKey is YEKLXMONMCVANK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)5(2-4-10)1-3-9-6/h5,9-10H,1-4H2/t5-/m1/s1.
What are the key properties of 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol?
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol has a molecular weight of 151.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol is sourced from PubChem (CID 91602738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).