1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol

C9H18F3NO2 — CID 82960184

IUPAC1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol
SMILESCOCCN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO2/c1-7(2)13(4-5-15-3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeyKCEHQUSQVWIOEJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.27
Rot. Bonds6

About 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 82960184) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol
PubChem CID82960184
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol
SMILESCOCCN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3NO2/c1-7(2)13(4-5-15-3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeyKCEHQUSQVWIOEJ-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
3-[cyclopropylmethyl(propan-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 63902463
4-[2-methoxyethyl(propan-2-yl)amino]butan-2-ol
CID 82961213
4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
CID 82953026
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
CID 63901016
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol (CID 82960184) is 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol is COCCN(CC(O)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is KCEHQUSQVWIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-7(2)13(4-5-15-3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 229.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 82960184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).