4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran

C6H7F3S — CID 162787526

IUPAC4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
SMILESFC(F)(F)C1=CCSCC1
InChIInChI=1S/C6H7F3S/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4H2
InChIKeyWMGJBGXFNOYSJG-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.61
Rot. Bonds

About 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran

4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran (PubChem CID 162787526) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
PubChem CID162787526
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Name4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
SMILESFC(F)(F)C1=CCSCC1
InChIInChI=1S/C6H7F3S/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4H2
InChIKeyWMGJBGXFNOYSJG-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothiophene
CID 123779355
Trifluoromethyl 4h thiopyran
CID 129814158
6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
6-(Trifluoromethyl)-3,4-dihydro-2 H-thiopyran
CID 162787527
6,6-Bis(trifluoromethyl)-2,5-dihydrothiopyran
CID 23233535
(3Z)-3-ethylidene-4,4-difluorothiane
CID 68033467
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
1-Ethylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91233573
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
1-Methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91461096
6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
CID 163440773

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran (CID 162787526) is 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran is FC(F)(F)C1=CCSCC1.
What is the InChIKey of 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran?
The InChIKey is WMGJBGXFNOYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S/c7-6(8,9)5-1-3-10-4-2-5/h1H,2-4H2.
What are the key properties of 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran?
4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran has a molecular weight of 168.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 162787526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).