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

C5H10F3NO2 — CID 16784702

IUPAC1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESNCC(O)COCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)3-11-2-4(10)1-9/h4,10H,1-3,9H2
InChIKeyXJDVNZUUIPVNCH-UHFFFAOYSA-N
MW173.13 g/mol
LogP-0.12
Rot. Bonds4

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

1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 16784702) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID16784702
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESNCC(O)COCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)3-11-2-4(10)1-9/h4,10H,1-3,9H2
InChIKeyXJDVNZUUIPVNCH-UHFFFAOYSA-N
XLogP-0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 16784702) is 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol is NCC(O)COCC(F)(F)F.
What is the InChIKey of 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is XJDVNZUUIPVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c6-5(7,8)3-11-2-4(10)1-9/h4,10H,1-3,9H2.
What are the key properties of 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 173.13 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 16784702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).