2-[2,2-difluoroethyl(ethyl)amino]ethanol

C6H13F2NO — CID 62021588

IUPAC2-[2,2-difluoroethyl(ethyl)amino]ethanol
SMILESCCN(CCO)CC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-9(3-4-10)5-6(7)8/h6,10H,2-5H2,1H3
InChIKeyIPYQJYDCJSIBAX-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.57
Rot. Bonds5

About 2-[2,2-difluoroethyl(ethyl)amino]ethanol

2-[2,2-difluoroethyl(ethyl)amino]ethanol (PubChem CID 62021588) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(ethyl)amino]ethanol
PubChem CID62021588
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2-[2,2-difluoroethyl(ethyl)amino]ethanol
SMILESCCN(CCO)CC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-9(3-4-10)5-6(7)8/h6,10H,2-5H2,1H3
InChIKeyIPYQJYDCJSIBAX-UHFFFAOYSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylethanolamine
CID 7497
Fluorocholine chloride
CID 404591
Fluorocholine
CID 404592
N-Ethyl-N-methylethanolamine
CID 17916
3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 20721301
Fluorocholine F-18
CID 449673
2-[(2-Fluoroethyl)(methyl)amino]ethan-1-ol
CID 46209411
Fluorocholine chloride F-18
CID 134694270
Fluoroethylcholine ion F-18
CID 449689
2-[Methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol
CID 54594038
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
2-Hydroxy-N,N,N-trimethylethan-1-aminium fluoride
CID 22134097

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]ethanol (CID 62021588) is 2-[2,2-difluoroethyl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(ethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(ethyl)amino]ethanol is CCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(ethyl)amino]ethanol?
The InChIKey is IPYQJYDCJSIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-9(3-4-10)5-6(7)8/h6,10H,2-5H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(ethyl)amino]ethanol?
2-[2,2-difluoroethyl(ethyl)amino]ethanol has a molecular weight of 153.17 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(ethyl)amino]ethanol is sourced from PubChem (CID 62021588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).