1,1,1-trifluoro-3-(methylamino)propan-2-ol

C4H8F3NO — CID 22367232

IUPAC1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyKUWNPQGEOONMLR-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.13
Rot. Bonds2

About 1,1,1-trifluoro-3-(methylamino)propan-2-ol

1,1,1-trifluoro-3-(methylamino)propan-2-ol (PubChem CID 22367232) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(methylamino)propan-2-ol
PubChem CID22367232
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyKUWNPQGEOONMLR-UHFFFAOYSA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(methylamino)propan-2-ol (CID 22367232) is 1,1,1-trifluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(methylamino)propan-2-ol is CNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The InChIKey is KUWNPQGEOONMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(methylamino)propan-2-ol?
1,1,1-trifluoro-3-(methylamino)propan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 22367232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).