3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol

C8H17F3N2O — CID 64898086

IUPAC3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCN(CC(F)(F)F)C(CO)C(C)N
InChIInChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)7(4-14)6(2)12/h6-7,14H,3-5,12H2,1-2H3
InChIKeyDPUQYKMHLLDQEL-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol (PubChem CID 64898086) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
PubChem CID64898086
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
SMILESCCN(CC(F)(F)F)C(CO)C(C)N
InChIInChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)7(4-14)6(2)12/h6-7,14H,3-5,12H2,1-2H3
InChIKeyDPUQYKMHLLDQEL-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027
3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
CID 64897671
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428588
1-N-cyclopropyl-2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427857
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol (CID 64898086) is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol is CCN(CC(F)(F)F)C(CO)C(C)N.
What is the InChIKey of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
The InChIKey is DPUQYKMHLLDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-13(5-8(9,10)11)7(4-14)6(2)12/h6-7,14H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol?
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol is sourced from PubChem (CID 64898086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).