N-methylmethanamine;3-(trifluoromethyl)chromen-2-one

C12H12F3NO2 — CID 87785561

IUPACN-methylmethanamine;3-(trifluoromethyl)chromen-2-one
SMILESCNC.O=c1oc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C10H5F3O2.C2H7N/c11-10(12,13)7-5-6-3-1-2-4-8(6)15-9(7)14;1-3-2/h1-5H;3H,1-2H3
InChIKeyCISJNXWQLJBGAK-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.65
Rot. Bonds

About N-methylmethanamine;3-(trifluoromethyl)chromen-2-one

N-methylmethanamine;3-(trifluoromethyl)chromen-2-one (PubChem CID 87785561) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-methylmethanamine;3-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound NameN-methylmethanamine;3-(trifluoromethyl)chromen-2-one
PubChem CID87785561
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-methylmethanamine;3-(trifluoromethyl)chromen-2-one
SMILESCNC.O=c1oc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C10H5F3O2.C2H7N/c11-10(12,13)7-5-6-3-1-2-4-8(6)15-9(7)14;1-3-2/h1-5H;3H,1-2H3
InChIKeyCISJNXWQLJBGAK-UHFFFAOYSA-N
XLogP2.65
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;3-(trifluoromethyl)chromen-2-one?
The IUPAC name of N-methylmethanamine;3-(trifluoromethyl)chromen-2-one (CID 87785561) is N-methylmethanamine;3-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for N-methylmethanamine;3-(trifluoromethyl)chromen-2-one?
The canonical SMILES for N-methylmethanamine;3-(trifluoromethyl)chromen-2-one is CNC.O=c1oc2ccccc2cc1C(F)(F)F.
What is the InChIKey of N-methylmethanamine;3-(trifluoromethyl)chromen-2-one?
The InChIKey is CISJNXWQLJBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2.C2H7N/c11-10(12,13)7-5-6-3-1-2-4-8(6)15-9(7)14;1-3-2/h1-5H;3H,1-2H3.
What are the key properties of N-methylmethanamine;3-(trifluoromethyl)chromen-2-one?
N-methylmethanamine;3-(trifluoromethyl)chromen-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;3-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 87785561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).