2-(3,3-difluoropyrrolidin-1-yl)ethanol

C6H11F2NO — CID 67224438

IUPAC2-(3,3-difluoropyrrolidin-1-yl)ethanol
SMILESOCCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)1-2-9(5-6)3-4-10/h10H,1-5H2
InChIKeyRKGUPRNVKSFVMD-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)ethanol

2-(3,3-difluoropyrrolidin-1-yl)ethanol (PubChem CID 67224438) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)ethanol
PubChem CID67224438
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)ethanol
SMILESOCCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c7-6(8)1-2-9(5-6)3-4-10/h10H,1-5H2
InChIKeyRKGUPRNVKSFVMD-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidineethanol
CID 76288
1-Pyrrolidineethanol, hydrochloride (1:1)
CID 207759
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
1-(2-Fluoroethyl)pyrrolidin-3-ol
CID 22436476
1-(2,2-Difluoroethyl)pyrrolidin-3-ol
CID 62918041
(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 64115141
1-(3-Fluoropropyl)pyrrolidin-3-ol
CID 81113801
2,2-Difluoro-3-(pyrrolidin-1-yl)propan-1-ol hydrochloride
CID 145874366
1,1,1-Trifluoro-3-(pyrrolidin-1-yl)propan-2-ol
CID 558507
(3R,4R)-3,4-Difluoro-1-pyrrolidineethanol
CID 11708080
3,3-Difluoro-1-pyrrolidinepropanol
CID 17980571
(R)-2-(3-Fluoropyrrolidin-1-yl)ethanol
CID 45087536

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)ethanol (CID 67224438) is 2-(3,3-difluoropyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)ethanol is OCCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)ethanol?
The InChIKey is RKGUPRNVKSFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)1-2-9(5-6)3-4-10/h10H,1-5H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)ethanol?
2-(3,3-difluoropyrrolidin-1-yl)ethanol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)ethanol is sourced from PubChem (CID 67224438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).