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

C15H13ClFNS — CID 43763094

IUPACN-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2Nc1ccccc1Cl
InChIInChI=1S/C15H13ClFNS/c16-11-5-1-2-7-14(11)18-13-8-9-19-15-10(13)4-3-6-12(15)17/h1-7,13,18H,8-9H2
InChIKeyUUHMFXXIOJEPFO-UHFFFAOYSA-N
MW293.79 g/mol
LogP5.13
Rot. Bonds2

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

N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43763094) has the molecular formula C15H13ClFNS and a molecular weight of 293.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43763094
Molecular FormulaC15H13ClFNS
Molecular Weight293.79 g/mol
Exact Mass293.04
IUPAC NameN-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2Nc1ccccc1Cl
InChIInChI=1S/C15H13ClFNS/c16-11-5-1-2-7-14(11)18-13-8-9-19-15-10(13)4-3-6-12(15)17/h1-7,13,18H,8-9H2
InChIKeyUUHMFXXIOJEPFO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine (CID 43763094) is N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is UUHMFXXIOJEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNS/c16-11-5-1-2-7-14(11)18-13-8-9-19-15-10(13)4-3-6-12(15)17/h1-7,13,18H,8-9H2.
What are the key properties of N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.79 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43763094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).