4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene

C13H13FOS2 — CID 54484874

IUPAC4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene
SMILESFc1ccc2c(c1)C(=C1SCCCS1)CCO2
InChIInChI=1S/C13H13FOS2/c14-9-2-3-12-11(8-9)10(4-5-15-12)13-16-6-1-7-17-13/h2-3,8H,1,4-7H2
InChIKeyXRPHYHIVDMTZNR-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.15
Rot. Bonds

About 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene

4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene (PubChem CID 54484874) has the molecular formula C13H13FOS2 and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene.

Molecular Properties

Compound Name4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene
PubChem CID54484874
Molecular FormulaC13H13FOS2
Molecular Weight268.38 g/mol
Exact Mass268.04
IUPAC Name4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene
SMILESFc1ccc2c(c1)C(=C1SCCCS1)CCO2
InChIInChI=1S/C13H13FOS2/c14-9-2-3-12-11(8-9)10(4-5-15-12)13-16-6-1-7-17-13/h2-3,8H,1,4-7H2
InChIKeyXRPHYHIVDMTZNR-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chroman
CID 136319
7-fluoro-2-(4-fluorophenyl)-4H-chromene-4-thione
CID 46231935
2-(2-Methoxyphenyl)-1,3-dithiane
CID 32503
6-Fluoro-3,4-dihydro-2H-1-benzopyran
CID 11469169
(3Z)-6-fluoro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
CID 57395824
2-(2-fluorophenyl)-2H-chromene
CID 118481848
7-Fluoro-2-phenylchromene-4-thione
CID 46231859
2-(4-Fluorophenyl)chromene-4-thione
CID 46231934
6-(1,3-dithiepan-2-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran
CID 132277556
3-Fluorochroman
CID 15415122
2-Fluorochroman
CID 10898877
2-Fluoro-9H-xanthene
CID 21928638

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene?
The IUPAC name of 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene (CID 54484874) is 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene.
What is the SMILES notation for 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene?
The canonical SMILES for 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene is Fc1ccc2c(c1)C(=C1SCCCS1)CCO2.
What is the InChIKey of 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene?
The InChIKey is XRPHYHIVDMTZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS2/c14-9-2-3-12-11(8-9)10(4-5-15-12)13-16-6-1-7-17-13/h2-3,8H,1,4-7H2.
What are the key properties of 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene?
4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene has a molecular weight of 268.38 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-ylidene)-6-fluoro-2,3-dihydrochromene is sourced from PubChem (CID 54484874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).