1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol

C7H14F3NO — CID 80559026

IUPAC1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-4-11-5-6(2,12)7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyJQZQWXXQAJAJGA-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds4

About 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol

1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 80559026) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol
PubChem CID80559026
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-4-11-5-6(2,12)7(8,9)10/h11-12H,3-5H2,1-2H3
InChIKeyJQZQWXXQAJAJGA-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol (CID 80559026) is 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is JQZQWXXQAJAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-4-11-5-6(2,12)7(8,9)10/h11-12H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol?
1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 80559026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).