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

C9H17F4NO3 — CID 106291988

IUPAC1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO3/c1-16-2-3-17-5-7(15)4-14-6-9(12,13)8(10)11/h7-8,14-15H,2-6H2,1H3
InChIKeyVLRPZFPLOCDQNX-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.50
Rot. Bonds10

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

1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (PubChem CID 106291988) has the molecular formula C9H17F4NO3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
PubChem CID106291988
Molecular FormulaC9H17F4NO3
Molecular Weight263.23 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
SMILESCOCCOCC(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO3/c1-16-2-3-17-5-7(15)4-14-6-9(12,13)8(10)11/h7-8,14-15H,2-6H2,1H3
InChIKeyVLRPZFPLOCDQNX-UHFFFAOYSA-N
XLogP0.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-butoxy-3-[(4-methoxy-2,2-dimethylbutyl)amino]propan-2-ol
CID 114125244
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol (CID 106291988) is 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is COCCOCC(O)CNCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
The InChIKey is VLRPZFPLOCDQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO3/c1-16-2-3-17-5-7(15)4-14-6-9(12,13)8(10)11/h7-8,14-15H,2-6H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol has a molecular weight of 263.23 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol is sourced from PubChem (CID 106291988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).