3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol

C8H16F3NO — CID 106175139

IUPAC3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,4-5-13)12-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyCRTPUIXXDBUXKO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds5

About 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol

3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol (PubChem CID 106175139) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
PubChem CID106175139
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,4-5-13)12-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyCRTPUIXXDBUXKO-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol (CID 106175139) is 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol is CCC(C)(CCO)NCC(F)(F)F.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The InChIKey is CRTPUIXXDBUXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-7(2,4-5-13)12-6-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol is sourced from PubChem (CID 106175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).