1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol

C9H19F3N2O — CID 60710703

IUPAC1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(4-2)6-8(15)5-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyJKSVEOVAYBABFG-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.84
Rot. Bonds7

About 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60710703) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60710703
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(4-2)6-8(15)5-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3
InChIKeyJKSVEOVAYBABFG-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60710703) is 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol is CCN(CC)CC(O)CNCC(F)(F)F.
What is the InChIKey of 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is JKSVEOVAYBABFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-14(4-2)6-8(15)5-13-7-9(10,11)12/h8,13,15H,3-7H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60710703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).