8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C17H17F2NS — CID 43758296

IUPAC8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(CCNC2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C17H17F2NS/c18-13-6-4-12(5-7-13)8-10-20-16-9-11-21-17-14(16)2-1-3-15(17)19/h1-7,16,20H,8-11H2
InChIKeyDLPLOYLRPCMBQP-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.33
Rot. Bonds4

About 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43758296) has the molecular formula C17H17F2NS and a molecular weight of 305.39 g/mol. Its IUPAC name is 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43758296
Molecular FormulaC17H17F2NS
Molecular Weight305.39 g/mol
Exact Mass305.10
IUPAC Name8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(CCNC2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C17H17F2NS/c18-13-6-4-12(5-7-13)8-10-20-16-9-11-21-17-14(16)2-1-3-15(17)19/h1-7,16,20H,8-11H2
InChIKeyDLPLOYLRPCMBQP-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43758296) is 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc(CCNC2CCSc3c(F)cccc32)cc1.
What is the InChIKey of 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DLPLOYLRPCMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NS/c18-13-6-4-12(5-7-13)8-10-20-16-9-11-21-17-14(16)2-1-3-15(17)19/h1-7,16,20H,8-11H2.
What are the key properties of 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 305.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).