1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol

C8H17F3N2O — CID 64821124

IUPAC1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCN(CCC(O)CN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)4-3-7(14)5-12/h7,14H,2-6,12H2,1H3
InChIKeyZMGGDLWGSAETIC-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.58
Rot. Bonds6

About 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol

1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol (PubChem CID 64821124) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
PubChem CID64821124
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
SMILESCCN(CCC(O)CN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)4-3-7(14)5-12/h7,14H,2-6,12H2,1H3
InChIKeyZMGGDLWGSAETIC-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
methyl 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053198
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)butanoic acid
CID 63055306
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63055482
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 162601173
1-amino-4-[butan-2-yl(ethyl)amino]butan-2-ol
CID 64821778
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol (CID 64821124) is 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol is CCN(CCC(O)CN)CC(F)(F)F.
What is the InChIKey of 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
The InChIKey is ZMGGDLWGSAETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-2-13(6-8(9,10)11)4-3-7(14)5-12/h7,14H,2-6,12H2,1H3.
What are the key properties of 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol?
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol is sourced from PubChem (CID 64821124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).