2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol

C12H21F3N2O — CID 64825689

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-16-11(8-18,9-2-3-9)6-17(10-4-5-10)7-12(13,14)15/h9-10,16,18H,2-8H2,1H3
InChIKeyXLQINOUIZQOCMN-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.37
Rot. Bonds7

About 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol (PubChem CID 64825689) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
PubChem CID64825689
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-16-11(8-18,9-2-3-9)6-17(10-4-5-10)7-12(13,14)15/h9-10,16,18H,2-8H2,1H3
InChIKeyXLQINOUIZQOCMN-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol (CID 64825689) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol is CNC(CO)(CN(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The InChIKey is XLQINOUIZQOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-11(8-18,9-2-3-9)6-17(10-4-5-10)7-12(13,14)15/h9-10,16,18H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol has a molecular weight of 266.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64825689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).