2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol

C6H11F2NO — CID 11708080

IUPAC2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol
SMILESOCCN1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C6H11F2NO/c7-5-3-9(1-2-10)4-6(5)8/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyXICMRVHZYBDMSK-PHDIDXHHSA-N
MW151.16 g/mol
LogP-0.03
Rot. Bonds2

About 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol

2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol (PubChem CID 11708080) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol
PubChem CID11708080
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol
SMILESOCCN1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C6H11F2NO/c7-5-3-9(1-2-10)4-6(5)8/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyXICMRVHZYBDMSK-PHDIDXHHSA-N
XLogP-0.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol (CID 11708080) is 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol is OCCN1C[C@@H](F)[C@H](F)C1.
What is the InChIKey of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol?
The InChIKey is XICMRVHZYBDMSK-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-5-3-9(1-2-10)4-6(5)8/h5-6,10H,1-4H2/t5-,6-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol?
2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol has a molecular weight of 151.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol is sourced from PubChem (CID 11708080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).