6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran

C7H6F6S — CID 23233535

IUPAC6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran
SMILESFC(F)(F)C1(C(F)(F)F)CC=CCS1
InChIInChI=1S/C7H6F6S/c8-6(9,10)5(7(11,12)13)3-1-2-4-14-5/h1-2H,3-4H2
InChIKeyOBYVTTICRORKQY-UHFFFAOYSA-N
MW236.18 g/mol
LogP3.54
Rot. Bonds

About 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran

6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran (PubChem CID 23233535) has the molecular formula C7H6F6S and a molecular weight of 236.18 g/mol. Its IUPAC name is 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran.

Molecular Properties

Compound Name6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran
PubChem CID23233535
Molecular FormulaC7H6F6S
Molecular Weight236.18 g/mol
Exact Mass236.01
IUPAC Name6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran
SMILESFC(F)(F)C1(C(F)(F)F)CC=CCS1
InChIInChI=1S/C7H6F6S/c8-6(9,10)5(7(11,12)13)3-1-2-4-14-5/h1-2H,3-4H2
InChIKeyOBYVTTICRORKQY-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 53.54
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

6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
4-(Trifluoromethyl)-3,6-dihydro-2 H-thiopyran
CID 162787526
6-(Trifluoromethyl)-3,4-dihydro-2 H-thiopyran
CID 162787527
Cyclohexene, 3-[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]thio]-
CID 12430277
5-Fluoro-5-(trifluoromethylsulfanylmethyl)cyclohexa-1,3-diene
CID 152137190
1-Chloro-6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran-1-ium
CID 162542279

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran?
The IUPAC name of 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran (CID 23233535) is 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran.
What is the SMILES notation for 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran?
The canonical SMILES for 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran is FC(F)(F)C1(C(F)(F)F)CC=CCS1.
What is the InChIKey of 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran?
The InChIKey is OBYVTTICRORKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6S/c8-6(9,10)5(7(11,12)13)3-1-2-4-14-5/h1-2H,3-4H2.
What are the key properties of 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran?
6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran has a molecular weight of 236.18 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(trifluoromethyl)-2,5-dihydrothiopyran is sourced from PubChem (CID 23233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).