3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one

C14H10F3NO2 — CID 71349110

IUPAC3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
SMILESNC1(C(F)(F)F)CC(=O)c2c(ccc3ccccc23)O1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18)7-10(19)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6H,7,18H2
InChIKeyHNLVJTSIXOFYJZ-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.02
Rot. Bonds

About 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one

3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one (PubChem CID 71349110) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
PubChem CID71349110
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
SMILESNC1(C(F)(F)F)CC(=O)c2c(ccc3ccccc23)O1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18)7-10(19)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6H,7,18H2
InChIKeyHNLVJTSIXOFYJZ-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The IUPAC name of 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one (CID 71349110) is 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one.
What is the SMILES notation for 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The canonical SMILES for 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one is NC1(C(F)(F)F)CC(=O)c2c(ccc3ccccc23)O1.
What is the InChIKey of 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
The InChIKey is HNLVJTSIXOFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13(18)7-10(19)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6H,7,18H2.
What are the key properties of 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one?
3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one has a molecular weight of 281.23 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one is sourced from PubChem (CID 71349110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).