4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol

C6H10BrF2NO — CID 162550798

IUPAC4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol
SMILESOC1CC(CC(F)(F)Br)CN1
InChIInChI=1S/C6H10BrF2NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4-5,10-11H,1-3H2
InChIKeyZCEZUDZKZREDSI-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.29
Rot. Bonds2

About 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol

4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol (PubChem CID 162550798) has the molecular formula C6H10BrF2NO and a molecular weight of 230.05 g/mol. Its IUPAC name is 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol
PubChem CID162550798
Molecular FormulaC6H10BrF2NO
Molecular Weight230.05 g/mol
Exact Mass228.99
IUPAC Name4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol
SMILESOC1CC(CC(F)(F)Br)CN1
InChIInChI=1S/C6H10BrF2NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4-5,10-11H,1-3H2
InChIKeyZCEZUDZKZREDSI-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-aminopyrrolidin-2-ol;hydrochloride
CID 174763411
4-fluoropyrrolidin-2-ol
CID 89311737
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CID 172565029
[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
CID 117270746
(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 142150919
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
CID 178200621
2-(fluoromethyl)azetidin-3-ol
CID 171035424
pyrrolidine-2,3,4-triol
CID 73110172
(2S,3R,4S)-pyrrolidine-2,3,4-triol
CID 55299439
3-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83484906
2-[(3S,6S)-6-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458470

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol?
The IUPAC name of 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol (CID 162550798) is 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol.
What is the SMILES notation for 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol?
The canonical SMILES for 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol is OC1CC(CC(F)(F)Br)CN1.
What is the InChIKey of 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol?
The InChIKey is ZCEZUDZKZREDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF2NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4-5,10-11H,1-3H2.
What are the key properties of 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol?
4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol has a molecular weight of 230.05 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2,2-difluoroethyl)pyrrolidin-2-ol is sourced from PubChem (CID 162550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).