[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

C11H12F3NO — CID 19079501

IUPAC[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNCC1CCc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-2-4-10-7(5-8)1-3-9(6-15)16-10/h2,4-5,9H,1,3,6,15H2
InChIKeyOVUHGTNSFHCUDV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.36
Rot. Bonds1

About [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 19079501) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID19079501
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNCC1CCc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-2-4-10-7(5-8)1-3-9(6-15)16-10/h2,4-5,9H,1,3,6,15H2
InChIKeyOVUHGTNSFHCUDV-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 19079501) is [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is NCC1CCc2cc(C(F)(F)F)ccc2O1.
What is the InChIKey of [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is OVUHGTNSFHCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)8-2-4-10-7(5-8)1-3-9(6-15)16-10/h2,4-5,9H,1,3,6,15H2.
What are the key properties of [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 19079501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).