4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile

C15H13F3N2O — CID 11437836

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N(CCO)CC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-20(7-8-21)14-6-5-11(9-19)12-3-1-2-4-13(12)14/h1-6,21H,7-8,10H2
InChIKeyXWSTZYHZARSISG-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.07
Rot. Bonds4

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile (PubChem CID 11437836) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile
PubChem CID11437836
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N(CCO)CC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-20(7-8-21)14-6-5-11(9-19)12-3-1-2-4-13(12)14/h1-6,21H,7-8,10H2
InChIKeyXWSTZYHZARSISG-UHFFFAOYSA-N
XLogP3.07
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile (CID 11437836) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile is N#Cc1ccc(N(CCO)CC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile?
The InChIKey is XWSTZYHZARSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)10-20(7-8-21)14-6-5-11(9-19)12-3-1-2-4-13(12)14/h1-6,21H,7-8,10H2.
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile has a molecular weight of 294.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]naphthalene-1-carbonitrile is sourced from PubChem (CID 11437836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).