6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

C10H12FNS — CID 15713056

IUPAC6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(N)c2cc(F)ccc2S1
InChIInChI=1S/C10H12FNS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6,9H,4,12H2,1H3
InChIKeyNGSZPVDPECPIQI-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.71
Rot. Bonds

About 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 15713056) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID15713056
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(N)c2cc(F)ccc2S1
InChIInChI=1S/C10H12FNS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6,9H,4,12H2,1H3
InChIKeyNGSZPVDPECPIQI-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 15713056) is 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is CC1CC(N)c2cc(F)ccc2S1.
What is the InChIKey of 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is NGSZPVDPECPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6,9H,4,12H2,1H3.
What are the key properties of 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 197.28 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 15713056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).