2-methyl-5-(trifluoromethyl)-2H-thiopyran

C7H7F3S — CID 142828312

IUPAC2-methyl-5-(trifluoromethyl)-2H-thiopyran
SMILESCC1C=CC(C(F)(F)F)=CS1
InChIInChI=1S/C7H7F3S/c1-5-2-3-6(4-11-5)7(8,9)10/h2-5H,1H3
InChIKeyJVQIVFXDFVVFDH-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.12
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-2H-thiopyran

2-methyl-5-(trifluoromethyl)-2H-thiopyran (PubChem CID 142828312) has the molecular formula C7H7F3S and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-2H-thiopyran.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-2H-thiopyran
PubChem CID142828312
Molecular FormulaC7H7F3S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name2-methyl-5-(trifluoromethyl)-2H-thiopyran
SMILESCC1C=CC(C(F)(F)F)=CS1
InChIInChI=1S/C7H7F3S/c1-5-2-3-6(4-11-5)7(8,9)10/h2-5H,1H3
InChIKeyJVQIVFXDFVVFDH-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoromethyl 4h thiopyran
CID 129814158
4-Trifluoromethyl-2h-thiopyran
CID 129860350
2,2-Bis(trifluoromethyl) thiopyran
CID 129860431
5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
1-Methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91461096
5-(Trifluoromethylsulfanyl)cyclopenta-1,3-diene
CID 101472109
6-(2-Methylbut-1-enylsulfanyl)-5-methylidene-3-(trifluoromethyl)hepta-1,3,6-triene
CID 123359278
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800
(3Z)-2-methyl-5-(trifluoromethylsulfanyl)hexa-1,3,5-triene
CID 141981513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-2H-thiopyran?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-2H-thiopyran (CID 142828312) is 2-methyl-5-(trifluoromethyl)-2H-thiopyran.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-2H-thiopyran?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-2H-thiopyran is CC1C=CC(C(F)(F)F)=CS1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-2H-thiopyran?
The InChIKey is JVQIVFXDFVVFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3S/c1-5-2-3-6(4-11-5)7(8,9)10/h2-5H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-2H-thiopyran?
2-methyl-5-(trifluoromethyl)-2H-thiopyran has a molecular weight of 180.19 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-2H-thiopyran is sourced from PubChem (CID 142828312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).