6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine

C12H14F3NO2 — CID 146450869

IUPAC6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2ccc(COCC(F)(F)F)cc2C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-17-5-8-1-2-11-9(3-8)4-10(16)6-18-11/h1-3,10H,4-7,16H2
InChIKeyPWGCTPBXAVCXQR-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.03
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine

6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 146450869) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID146450869
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2ccc(COCC(F)(F)F)cc2C1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-17-5-8-1-2-11-9(3-8)4-10(16)6-18-11/h1-3,10H,4-7,16H2
InChIKeyPWGCTPBXAVCXQR-UHFFFAOYSA-N
XLogP2.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine (CID 146450869) is 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine is NC1COc2ccc(COCC(F)(F)F)cc2C1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is PWGCTPBXAVCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)7-17-5-8-1-2-11-9(3-8)4-10(16)6-18-11/h1-3,10H,4-7,16H2.
What are the key properties of 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine?
6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 261.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 146450869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).