5-fluoro-6-(trifluoromethyl)-8aH-thiochromene

C10H6F4S — CID 123171106

IUPAC5-fluoro-6-(trifluoromethyl)-8aH-thiochromene
SMILESFC1=C(C(F)(F)F)C=CC2SC=CC=C12
InChIInChI=1S/C10H6F4S/c11-9-6-2-1-5-15-8(6)4-3-7(9)10(12,13)14/h1-5,8H
InChIKeyAXHRUXXFGWYGPF-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.90
Rot. Bonds

About 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene

5-fluoro-6-(trifluoromethyl)-8aH-thiochromene (PubChem CID 123171106) has the molecular formula C10H6F4S and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene.

Molecular Properties

Compound Name5-fluoro-6-(trifluoromethyl)-8aH-thiochromene
PubChem CID123171106
Molecular FormulaC10H6F4S
Molecular Weight234.22 g/mol
Exact Mass234.01
IUPAC Name5-fluoro-6-(trifluoromethyl)-8aH-thiochromene
SMILESFC1=C(C(F)(F)F)C=CC2SC=CC=C12
InChIInChI=1S/C10H6F4S/c11-9-6-2-1-5-15-8(6)4-3-7(9)10(12,13)14/h1-5,8H
InChIKeyAXHRUXXFGWYGPF-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Bis(trifluoromethyl) thiopyran
CID 129860431
Cyclohexa[b]thiopyran
CID 57195514
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
5-(4,5-Difluoro-6-methylidenecyclohexa-2,4-dien-1-yl)sulfanyl-1,2-difluoro-6-methylidenecyclohexa-1,3-diene
CID 141168975
(3Z)-5-methylidene-7-methylsulfanyl-2-(trifluoromethyl)hepta-1,3-diene
CID 144530557
6-Methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 147622584
1-(4-Methylcyclohexa-2,4-dien-1-yl)sulfanyl-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 156124399
6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
CID 163440773
(3E,5E)-7,7,7-trifluoro-6-methyl-3-(1-methylsulfanylethyl)hepta-1,3,5-triene
CID 166845422
1,2-Difluoro-5-methylsulfanyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 173206959
(4-Ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(trifluoromethyl)-lambda6-sulfane
CID 175101259
(4-Ethenylcyclohexa-2,4-dien-1-ylidene)methyl-tetrafluoro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-lambda6-sulfane
CID 175102867

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene?
The IUPAC name of 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene (CID 123171106) is 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene.
What is the SMILES notation for 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene?
The canonical SMILES for 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene is FC1=C(C(F)(F)F)C=CC2SC=CC=C12.
What is the InChIKey of 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene?
The InChIKey is AXHRUXXFGWYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4S/c11-9-6-2-1-5-15-8(6)4-3-7(9)10(12,13)14/h1-5,8H.
What are the key properties of 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene?
5-fluoro-6-(trifluoromethyl)-8aH-thiochromene has a molecular weight of 234.22 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(trifluoromethyl)-8aH-thiochromene is sourced from PubChem (CID 123171106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).