2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol

C13H24F5NO2 — CID 106810644

IUPAC2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2/c1-3-7-19-11(4-2,9-20)6-5-8-21-10-12(14,15)13(16,17)18/h19-20H,3-10H2,1-2H3
InChIKeyQQCDPSCVQYQDIO-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.12
Rot. Bonds11

About 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol

2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol (PubChem CID 106810644) has the molecular formula C13H24F5NO2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
PubChem CID106810644
Molecular FormulaC13H24F5NO2
Molecular Weight321.33 g/mol
Exact Mass321.17
IUPAC Name2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2/c1-3-7-19-11(4-2,9-20)6-5-8-21-10-12(14,15)13(16,17)18/h19-20H,3-10H2,1-2H3
InChIKeyQQCDPSCVQYQDIO-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
CID 106810584
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
2-ethyl-2-(methylamino)-5-octoxypentan-1-ol
CID 106810250
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
5-(2,4-dimethylphenoxy)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810447
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol (CID 106810644) is 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol?
The InChIKey is QQCDPSCVQYQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F5NO2/c1-3-7-19-11(4-2,9-20)6-5-8-21-10-12(14,15)13(16,17)18/h19-20H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol?
2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol has a molecular weight of 321.33 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106810644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).