1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol

C14H28F3NO2 — CID 63226874

IUPAC1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H28F3NO2/c1-3-5-6-12(4-2)10-20-11-13(19)9-18-8-7-14(15,16)17/h12-13,18-19H,3-11H2,1-2H3
InChIKeyNSSSUBDKKQHQQT-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.12
Rot. Bonds12

About 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 63226874) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID63226874
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Name1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H28F3NO2/c1-3-5-6-12(4-2)10-20-11-13(19)9-18-8-7-14(15,16)17/h12-13,18-19H,3-11H2,1-2H3
InChIKeyNSSSUBDKKQHQQT-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.12
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

1-(Ethylamino)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)propan-2-ol
CID 123820493
(2R,3R,4S,5S)-5-fluoro-4-methyl-1-(methylamino)heptane-2,3-diol
CID 126716033
1-(2-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173979
1-Hexoxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173980
1-Cyclohexyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632382
1-(2-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632467
1-(4-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632509
1-(2-Ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632510
1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-Octoxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632594
1-Hexoxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632636
1-(2-Ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632637

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 63226874) is 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol is CCCCC(CC)COCC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is NSSSUBDKKQHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2/c1-3-5-6-12(4-2)10-20-11-13(19)9-18-8-7-14(15,16)17/h12-13,18-19H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 299.38 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 63226874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).