N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine

C11H12F3NS — CID 24708870

IUPACN-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFC(F)(F)CNC1CCSc2ccccc21
InChIInChI=1S/C11H12F3NS/c12-11(13,14)7-15-9-5-6-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2
InChIKeyWDOBDSOXGWJTSX-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.38
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 24708870) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID24708870
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFC(F)(F)CNC1CCSc2ccccc21
InChIInChI=1S/C11H12F3NS/c12-11(13,14)7-15-9-5-6-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2
InChIKeyWDOBDSOXGWJTSX-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
CID 12269106
N-methyl-6,6a,7,10-tetrahydrobenzo[c]thiochromen-10a-amine
CID 19107039
(3,4-dihydro-2H-1-benzothiopyran-4-yl)ammonium chloride
CID 85920
N-Ethyl-6,6a,7,8,9,10-hexahydro-10aH-dibenzo[b,d]thiopyran-10a-amine
CID 19107100
N-methyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 44568750
3-Phenylthiomorpholine
CID 4685153
8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine
CID 16226821
3,4-dihydro-2H-thiochromen-4-amine
CID 85921
2-Butyl-4,4-dimethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
CID 3046337
2-Butyl-4,4-diethyl-3,4-dihydro-2H-1,3-benzothiazine--hydrogen chloride (1/1)
CID 3046339
6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride
CID 16269878
2,3,4,5-Tetrahydro-1,4-benzothiazepine hydrochloride
CID 22238018

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 24708870) is N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine is FC(F)(F)CNC1CCSc2ccccc21.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WDOBDSOXGWJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)7-15-9-5-6-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 247.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 24708870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).