7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol

C10H20F3NO2 — CID 146356662

IUPAC7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol
SMILESCN(CCO)CC(O)CCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-14(6-7-15)8-9(16)4-2-3-5-10(11,12)13/h9,15-16H,2-8H2,1H3
InChIKeyJNLPUCAYFFZJKF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.39
Rot. Bonds8

About 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol

7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol (PubChem CID 146356662) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol
PubChem CID146356662
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol
SMILESCN(CCO)CC(O)CCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-14(6-7-15)8-9(16)4-2-3-5-10(11,12)13/h9,15-16H,2-8H2,1H3
InChIKeyJNLPUCAYFFZJKF-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol?
The IUPAC name of 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol (CID 146356662) is 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol.
What is the SMILES notation for 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol?
The canonical SMILES for 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol is CN(CCO)CC(O)CCCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol?
The InChIKey is JNLPUCAYFFZJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-14(6-7-15)8-9(16)4-2-3-5-10(11,12)13/h9,15-16H,2-8H2,1H3.
What are the key properties of 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol?
7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol has a molecular weight of 243.27 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-[2-hydroxyethyl(methyl)amino]heptan-2-ol is sourced from PubChem (CID 146356662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).