1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

C10H20F3NO — CID 62044770

IUPAC1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCC)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-9(15)7-14(6-4-2)8-10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyXCSYWHITOAFUFD-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.42
Rot. Bonds7

About 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 62044770) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID62044770
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCC)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-9(15)7-14(6-4-2)8-10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyXCSYWHITOAFUFD-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 62044770) is 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CCCC(O)CN(CCC)CC(F)(F)F.
What is the InChIKey of 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is XCSYWHITOAFUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-5-9(15)7-14(6-4-2)8-10(11,12)13/h9,15H,3-8H2,1-2H3.
What are the key properties of 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 62044770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).