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

C9H19F3N2O — CID 104840399

IUPAC3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-7(13)8(5-15)14(4-2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyHTORRJHWGHLOAA-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds6

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

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 104840399) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID104840399
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-7(13)8(5-15)14(4-2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3
InChIKeyHTORRJHWGHLOAA-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898086
3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
CID 104840317
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
CID 113459497
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
CID 104840639
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 104840399) is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CCC(N)C(CO)N(CC)CC(F)(F)F.
What is the InChIKey of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is HTORRJHWGHLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-7(13)8(5-15)14(4-2)6-9(10,11)12/h7-8,15H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 6 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]pentan-1-ol is sourced from PubChem (CID 104840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).