8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine

C10H10F3NS — CID 15029302

IUPAC8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCSc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H10F3NS/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2
InChIKeyVHZNYTSJAGKHKY-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.20
Rot. Bonds

About 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine

8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 15029302) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID15029302
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESNC1CCSc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H10F3NS/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2
InChIKeyVHZNYTSJAGKHKY-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 15029302) is 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine is NC1CCSc2c1cccc2C(F)(F)F.
What is the InChIKey of 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VHZNYTSJAGKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3,8H,4-5,14H2.
What are the key properties of 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine?
8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 233.26 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 15029302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).