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

C6H12F3NO2 — CID 64802406

IUPAC2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCNC(CO)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10-5(2-11)3-12-4-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyDTFVBXYPJBRNLV-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.15
Rot. Bonds5

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

2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 64802406) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID64802406
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCNC(CO)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10-5(2-11)3-12-4-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyDTFVBXYPJBRNLV-UHFFFAOYSA-N
XLogP0.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 64802406) is 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is CNC(CO)COCC(F)(F)F.
What is the InChIKey of 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is DTFVBXYPJBRNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-10-5(2-11)3-12-4-6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 187.16 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 64802406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).