2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

C16H14F3NO — CID 114709531

IUPAC2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccccc2C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C16H14F3NO/c17-16(18,19)12-7-3-1-5-10(12)15-9-13(20)11-6-2-4-8-14(11)21-15/h1-8,13,15H,9,20H2
InChIKeyOZPZJUVTUVSPMT-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.23
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine

2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709531) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709531
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccccc2C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C16H14F3NO/c17-16(18,19)12-7-3-1-5-10(12)15-9-13(20)11-6-2-4-8-14(11)21-15/h1-8,13,15H,9,20H2
InChIKeyOZPZJUVTUVSPMT-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine (CID 114709531) is 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2ccccc2C(F)(F)F)Oc2ccccc21.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OZPZJUVTUVSPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)12-7-3-1-5-10(12)15-9-13(20)11-6-2-4-8-14(11)21-15/h1-8,13,15H,9,20H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine?
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 293.29 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).