6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

C14H19F2NOS — CID 79414565

IUPAC6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1c2cc(F)c(F)cc2S(=O)C(C)C1C
InChIInChI=1S/C14H19F2NOS/c1-4-5-17-14-8(2)9(3)19(18)13-7-12(16)11(15)6-10(13)14/h6-9,14,17H,4-5H2,1-3H3
InChIKeyBZWZGEMZGZGFLT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.15
Rot. Bonds3

About 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine

6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79414565) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79414565
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1c2cc(F)c(F)cc2S(=O)C(C)C1C
InChIInChI=1S/C14H19F2NOS/c1-4-5-17-14-8(2)9(3)19(18)13-7-12(16)11(15)6-10(13)14/h6-9,14,17H,4-5H2,1-3H3
InChIKeyBZWZGEMZGZGFLT-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 79414565) is 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCNC1c2cc(F)c(F)cc2S(=O)C(C)C1C.
What is the InChIKey of 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BZWZGEMZGZGFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-4-5-17-14-8(2)9(3)19(18)13-7-12(16)11(15)6-10(13)14/h6-9,14,17H,4-5H2,1-3H3.
What are the key properties of 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 287.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2,3-dimethyl-1-oxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79414565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).