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

C9H18F3NO3 — CID 106989915

IUPAC1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-15-4-5-16-7-8(14)6-13-3-2-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyFYIDXHKQWITMPK-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.55
Rot. Bonds9

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

1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 106989915) has the molecular formula C9H18F3NO3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID106989915
Molecular FormulaC9H18F3NO3
Molecular Weight245.24 g/mol
Exact Mass245.12
IUPAC Name1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3/c1-15-4-5-16-7-8(14)6-13-3-2-9(10,11)12/h8,13-14H,2-7H2,1H3
InChIKeyFYIDXHKQWITMPK-UHFFFAOYSA-N
XLogP0.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291988
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427994
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(2-methoxyethoxy)-3-(2-morpholin-4-ylethylamino)propan-2-ol
CID 106989208

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 106989915) is 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol is COCCOCC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is FYIDXHKQWITMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3/c1-15-4-5-16-7-8(14)6-13-3-2-9(10,11)12/h8,13-14H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 245.24 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 106989915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).