6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine

C12H14FNO2S — CID 43440251

IUPAC6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESC=CCNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2S/c1-2-6-14-11-5-7-17(15,16)12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2
InChIKeyFIANSZXCHGNHME-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.82
Rot. Bonds3

About 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43440251) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43440251
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESC=CCNC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C12H14FNO2S/c1-2-6-14-11-5-7-17(15,16)12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2
InChIKeyFIANSZXCHGNHME-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43440251) is 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine is C=CCNC1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is FIANSZXCHGNHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-2-6-14-11-5-7-17(15,16)12-4-3-9(13)8-10(11)12/h2-4,8,11,14H,1,5-7H2.
What are the key properties of 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 255.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1-dioxo-N-prop-2-enyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43440251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).