N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

C15H12F3NS — CID 43765030

IUPACN-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cc(F)cc(NC2CCSc3c(F)cccc32)c1
InChIInChI=1S/C15H12F3NS/c16-9-6-10(17)8-11(7-9)19-14-4-5-20-15-12(14)2-1-3-13(15)18/h1-3,6-8,14,19H,4-5H2
InChIKeyIRESBMGTRCKQHB-UHFFFAOYSA-N
MW295.33 g/mol
LogP4.75
Rot. Bonds2

About N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine

N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43765030) has the molecular formula C15H12F3NS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43765030
Molecular FormulaC15H12F3NS
Molecular Weight295.33 g/mol
Exact Mass295.06
IUPAC NameN-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cc(F)cc(NC2CCSc3c(F)cccc32)c1
InChIInChI=1S/C15H12F3NS/c16-9-6-10(17)8-11(7-9)19-14-4-5-20-15-12(14)2-1-3-13(15)18/h1-3,6-8,14,19H,4-5H2
InChIKeyIRESBMGTRCKQHB-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
N-(3-chloro-4-methylphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43757422
N-(2,4-dichlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758723
N-(2,6-dibromo-4-methylphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43773573
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
1-ethyl-5-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pyridin-2-one
CID 60943537
N-(4-bromo-2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43774949
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103777403
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 43765030) is N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is Fc1cc(F)cc(NC2CCSc3c(F)cccc32)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is IRESBMGTRCKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NS/c16-9-6-10(17)8-11(7-9)19-14-4-5-20-15-12(14)2-1-3-13(15)18/h1-3,6-8,14,19H,4-5H2.
What are the key properties of N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 295.33 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43765030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).