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

C9H19F3N2O2 — CID 114357027

IUPAC3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
SMILESCCN(CC(F)(F)F)C(CO)C(N)COC
InChIInChI=1S/C9H19F3N2O2/c1-3-14(6-9(10,11)12)8(4-15)7(13)5-16-2/h7-8,15H,3-6,13H2,1-2H3
InChIKeySUIWRXXALTTYFV-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.21
Rot. Bonds7

About 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol

3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol (PubChem CID 114357027) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
PubChem CID114357027
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
SMILESCCN(CC(F)(F)F)C(CO)C(N)COC
InChIInChI=1S/C9H19F3N2O2/c1-3-14(6-9(10,11)12)8(4-15)7(13)5-16-2/h7-8,15H,3-6,13H2,1-2H3
InChIKeySUIWRXXALTTYFV-UHFFFAOYSA-N
XLogP0.21
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]butan-1-ol
CID 64898086
3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
CID 114356584
3-amino-2-[ethyl(2-methoxyethyl)amino]-4-methylpentan-1-ol
CID 114356911
2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968
3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 114357469
3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
CID 114356963
3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 103224693
3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
CID 104840317
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol (CID 114357027) is 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol is CCN(CC(F)(F)F)C(CO)C(N)COC.
What is the InChIKey of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol?
The InChIKey is SUIWRXXALTTYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-3-14(6-9(10,11)12)8(4-15)7(13)5-16-2/h7-8,15H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol?
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol has a molecular weight of 244.26 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).