1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol

C9H14F3N3O — CID 63901689

IUPAC1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cn1ccnc1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7(5-15-3-2-13-6-15)14-4-8(16)9(10,11)12/h2-3,6-8,14,16H,4-5H2,1H3
InChIKeyIXDOAYOJSJQEFD-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.78
Rot. Bonds5

About 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 63901689) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID63901689
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(Cn1ccnc1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7(5-15-3-2-13-6-15)14-4-8(16)9(10,11)12/h2-3,6-8,14,16H,4-5H2,1H3
InChIKeyIXDOAYOJSJQEFD-UHFFFAOYSA-N
XLogP0.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol (CID 63901689) is 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol is CC(Cn1ccnc1)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is IXDOAYOJSJQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-7(5-15-3-2-13-6-15)14-4-8(16)9(10,11)12/h2-3,6-8,14,16H,4-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 237.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63901689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).