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

C11H22F3NO2 — CID 65111828

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

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

3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol (PubChem CID 65111828) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol
PubChem CID65111828
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-10(16,4-2)8-15-6-5-7-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyRPBDOWLNSLXDEO-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

3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140803
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]butan-1-ol
CID 62517611
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 63239681
2-Methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol
CID 65106052
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]propan-2-ol
CID 65106224
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]butan-2-ol
CID 65106553
3-[(3,3,3-Trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[(2,2,2-Trifluoroethylamino)methyl]pentan-3-ol
CID 65111281
3-[(2,2-Difluoroethylamino)methyl]pentan-3-ol
CID 65111387
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]pentan-3-ol
CID 65111442
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-2-ol
CID 65111580
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65111635

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol (CID 65111828) is 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCCOCC(F)(F)F.
What is the InChIKey of 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol?
The InChIKey is RPBDOWLNSLXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-10(16,4-2)8-15-6-5-7-17-9-11(12,13)14/h15-16H,3-9H2,1-2H3.
What are the key properties of 3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol?
3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-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-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65111828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).