2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol

C7H13F2NO — CID 115631933

IUPAC2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-10(4-5-11)6-7(8)9/h2,7,11H,1,3-6H2
InChIKeyYYRNHFRCAKHWAL-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.73
Rot. Bonds6

About 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol

2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol (PubChem CID 115631933) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol
PubChem CID115631933
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-10(4-5-11)6-7(8)9/h2,7,11H,1,3-6H2
InChIKeyYYRNHFRCAKHWAL-UHFFFAOYSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Allyl-2,2'-iminodiethanol
CID 41439
2-(Diallylamino)ethanol
CID 253018
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
2-[1-Fluoroprop-2-enyl(2-hydroxyethyl)amino]ethanol
CID 88499328
2-[3-Fluoroprop-2-enyl(2-hydroxyethyl)amino]ethanol
CID 173368370
3-[Allyl(3,3,3-trifluoro-2-hydroxypropyl)amino]-1,1,1-trifluoro-2-propanol
CID 3669976
(2S)-1,1,1-trifluoro-3-[prop-2-enyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558940
(2R)-1,1,1-trifluoro-3-[prop-2-enyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558942
(2R)-1,1,1-trifluoro-3-[prop-2-enyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558944
2-[Prop-2-enyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 60302276
2-[2-Bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103856843
2-[[(E)-but-2-enyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864854

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol (CID 115631933) is 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol?
The InChIKey is YYRNHFRCAKHWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-3-10(4-5-11)6-7(8)9/h2,7,11H,1,3-6H2.
What are the key properties of 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol?
2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol has a molecular weight of 165.18 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115631933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).