1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C9H8F6N2O — CID 113228906

IUPAC1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESOC(CNc1cccc(C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c10-8(11,12)5-2-1-3-7(17-5)16-4-6(18)9(13,14)15/h1-3,6,18H,4H2,(H,16,17)
InChIKeyKHFXYUUAYYEUPK-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.44
Rot. Bonds3

About 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 113228906) has the molecular formula C9H8F6N2O and a molecular weight of 274.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID113228906
Molecular FormulaC9H8F6N2O
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESOC(CNc1cccc(C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c10-8(11,12)5-2-1-3-7(17-5)16-4-6(18)9(13,14)15/h1-3,6,18H,4H2,(H,16,17)
InChIKeyKHFXYUUAYYEUPK-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093691
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 65314262
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
N-[[4-(chloromethyl)phenyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 107233089
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 64699610
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62315277
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 113228906) is 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is OC(CNc1cccc(C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is KHFXYUUAYYEUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O/c10-8(11,12)5-2-1-3-7(17-5)16-4-6(18)9(13,14)15/h1-3,6,18H,4H2,(H,16,17).
What are the key properties of 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 274.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 113228906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).