1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol

C8H14F3NO2 — CID 104709042

IUPAC1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h2,7,13-14H,1,3-6H2
InChIKeyHRCXHFFLANOZJG-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.39
Rot. Bonds6

About 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol

1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (PubChem CID 104709042) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
PubChem CID104709042
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h2,7,13-14H,1,3-6H2
InChIKeyHRCXHFFLANOZJG-UHFFFAOYSA-N
XLogP0.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (CID 104709042) is 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is C=CCN(CCO)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The InChIKey is HRCXHFFLANOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h2,7,13-14H,1,3-6H2.
What are the key properties of 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol has a molecular weight of 213.20 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 104709042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).