1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C13H16F3NO — CID 5295038

IUPAC1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CCCO1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2
InChIKeyQMVUFIUACWHVEH-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds4

About 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 5295038) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID5295038
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1CCCO1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2
InChIKeyQMVUFIUACWHVEH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 5295038) is 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccccc1CNCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is QMVUFIUACWHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-2,4,6,11,17H,3,5,7-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 5295038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).