2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol

C8H15F4NO — CID 147313969

IUPAC2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol
SMILESCCCN(CCO)CC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-2-3-13(4-5-14)6-8(11,12)7(9)10/h7,14H,2-6H2,1H3
InChIKeyCYMSOPNMIDNWCN-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.59
Rot. Bonds7

About 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol

2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol (PubChem CID 147313969) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol.

Molecular Properties

Compound Name2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol
PubChem CID147313969
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol
SMILESCCCN(CCO)CC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NO/c1-2-3-13(4-5-14)6-8(11,12)7(9)10/h7,14H,2-6H2,1H3
InChIKeyCYMSOPNMIDNWCN-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 20721301
2-[Methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol
CID 54594038
(S)-1,1,1-Trifluoro-3-(diethylamino)propan-2-ol
CID 10058229
(2S)-3-(Dimethylamino)-1,1,1-trifluoropropan-2-ol
CID 71374204
3-(18F)fluoropropyl-(2-hydroxyethyl)-dimethylazanium
CID 449691
2-[2-Fluoropropyl(methyl)amino]ethanol
CID 44521768
Tris(2-hydroxy-3,3,3-trifluoropropyl)amine
CID 6425856
3-(Diisopropylamino)-1,1,1-trifluoro-2-propanol
CID 2768016
1-(Dibutylamino)-2,2,2-trifluoroethanol
CID 10857179
2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl(methyl)amino]ethanol
CID 20332849
2-[(3-Fluoropropyl)(methyl)amino]ethan-1-ol
CID 57694918
2-[Ethyl(3-fluoropropyl)amino]ethanol
CID 57694924

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol?
The IUPAC name of 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol (CID 147313969) is 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol.
What is the SMILES notation for 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol?
The canonical SMILES for 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol is CCCN(CCO)CC(F)(F)C(F)F.
What is the InChIKey of 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol?
The InChIKey is CYMSOPNMIDNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-2-3-13(4-5-14)6-8(11,12)7(9)10/h7,14H,2-6H2,1H3.
What are the key properties of 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol?
2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol has a molecular weight of 217.21 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol is sourced from PubChem (CID 147313969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).