2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine

C9H11F6N3O — CID 102721703

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)OC(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H11F6N3O/c1-18-4-5(3-17-18)6(2-16)19-7(8(10,11)12)9(13,14)15/h3-4,6-7H,2,16H2,1H3
InChIKeyPHVVZIYORCOKDQ-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.93
Rot. Bonds4

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 102721703) has the molecular formula C9H11F6N3O and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID102721703
Molecular FormulaC9H11F6N3O
Molecular Weight291.20 g/mol
Exact Mass291.08
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(CN)OC(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H11F6N3O/c1-18-4-5(3-17-18)6(2-16)19-7(8(10,11)12)9(13,14)15/h3-4,6-7H,2,16H2,1H3
InChIKeyPHVVZIYORCOKDQ-UHFFFAOYSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112587158
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 82534762
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685973
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
2-(1-methylpyrazol-4-yl)-2-(4-methylsulfanylphenoxy)ethanamine
CID 63649329
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
CID 105228420
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine (CID 102721703) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(CN)OC(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is PHVVZIYORCOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O/c1-18-4-5(3-17-18)6(2-16)19-7(8(10,11)12)9(13,14)15/h3-4,6-7H,2,16H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 291.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102721703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).