1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol

C7H12F3NO2 — CID 160554788

IUPAC1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol
SMILESC=C(COC)NCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(4-13-2)11-3-6(12)7(8,9)10/h6,11-12H,1,3-4H2,2H3
InChIKeyXMIKUBZLXLRFLP-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.66
Rot. Bonds5

About 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol (PubChem CID 160554788) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol
PubChem CID160554788
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol
SMILESC=C(COC)NCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(4-13-2)11-3-6(12)7(8,9)10/h6,11-12H,1,3-4H2,2H3
InChIKeyXMIKUBZLXLRFLP-UHFFFAOYSA-N
XLogP0.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol (CID 160554788) is 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol is C=C(COC)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol?
The InChIKey is XMIKUBZLXLRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(4-13-2)11-3-6(12)7(8,9)10/h6,11-12H,1,3-4H2,2H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(3-methoxyprop-1-en-2-ylamino)propan-2-ol has a molecular weight of 199.17 g/mol, XLogP of 0.66, 5 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-(3-methoxyprop-1-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 160554788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).