2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine

C14H18F3NO — CID 68596556

IUPAC2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3
InChIKeyRFMMFDRRXOTLSC-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.05
Rot. Bonds2

About 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine

2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine (PubChem CID 68596556) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
PubChem CID68596556
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3
InChIKeyRFMMFDRRXOTLSC-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine (CID 68596556) is 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine is CCC1(CC)CC(N)c2cccc(C(F)(F)F)c2O1.
What is the InChIKey of 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is RFMMFDRRXOTLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-13(4-2)8-11(18)9-6-5-7-10(12(9)19-13)14(15,16)17/h5-7,11H,3-4,8,18H2,1-2H3.
What are the key properties of 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine?
2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 273.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68596556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).