3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol

C11H22F3NO2 — CID 103774803

IUPAC3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-10(2,5-7-16)15-6-4-8-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyWLDBLYAONZVOPR-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.10
Rot. Bonds9

About 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol

3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol (PubChem CID 103774803) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
PubChem CID103774803
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-10(2,5-7-16)15-6-4-8-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyWLDBLYAONZVOPR-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,2,2-Trifluoroethylamino)oxan-4-yl]ethanol
CID 84590200
3-[3-(Tert-butylamino)-2,2-difluoropropoxy]propan-1-ol
CID 156047574
3-[3-(Tert-butylamino)-2,2-difluoropropoxy]-2-fluoropropan-1-ol
CID 156047605
3-[3-(Tert-butylamino)-2-fluoropropoxy]-2-fluoropropan-1-ol
CID 156047606
3-[3-(Tert-butylamino)propoxy]-2,2-difluoropropan-1-ol
CID 156047607
3-[3-(Tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropan-1-ol
CID 156047608
3-[3-(Tert-butylamino)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol
CID 156047610
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
{4-[(2,2,2-trifluoroethyl)amino]tetrahydro-2H-pyran-4-yl}methanol
CID 61044749
2-Ethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61047491
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-ol
CID 61491122
4-Methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61873000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol (CID 103774803) is 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol is CCC(C)(CCO)NCCCOCC(F)(F)F.
What is the InChIKey of 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
The InChIKey is WLDBLYAONZVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-10(2,5-7-16)15-6-4-8-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3.
What are the key properties of 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol?
3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol has a molecular weight of 257.30 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol is sourced from PubChem (CID 103774803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).