7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran

C12H11F3S — CID 174867682

IUPAC7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran
SMILESCC(C)c1ccc2cc(C(F)(F)F)csc1-2
InChIInChI=1S/C12H11F3S/c1-7(2)10-4-3-8-5-9(12(13,14)15)6-16-11(8)10/h3-7H,1-2H3
InChIKeyWMTFAYZKQGUCHZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP5.00
Rot. Bonds1

About 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran

7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran (PubChem CID 174867682) has the molecular formula C12H11F3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran.

Molecular Properties

Compound Name7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran
PubChem CID174867682
Molecular FormulaC12H11F3S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran
SMILESCC(C)c1ccc2cc(C(F)(F)F)csc1-2
InChIInChI=1S/C12H11F3S/c1-7(2)10-4-3-8-5-9(12(13,14)15)6-16-11(8)10/h3-7H,1-2H3
InChIKeyWMTFAYZKQGUCHZ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran?
The IUPAC name of 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran (CID 174867682) is 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran.
What is the SMILES notation for 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran?
The canonical SMILES for 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran is CC(C)c1ccc2cc(C(F)(F)F)csc1-2.
What is the InChIKey of 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran?
The InChIKey is WMTFAYZKQGUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3S/c1-7(2)10-4-3-8-5-9(12(13,14)15)6-16-11(8)10/h3-7H,1-2H3.
What are the key properties of 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran?
7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran has a molecular weight of 244.28 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran is sourced from PubChem (CID 174867682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).