7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol

C14H12F3NO2S — CID 174272818

IUPAC7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol
SMILESOC1COc2ccsc2C1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)8-1-3-9(4-2-8)18-12-10(19)7-20-11-5-6-21-13(11)12/h1-6,10,12,18-19H,7H2
InChIKeyCUHMPRYEPNBJKJ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.67
Rot. Bonds2

About 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol

7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol (PubChem CID 174272818) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol
PubChem CID174272818
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol
SMILESOC1COc2ccsc2C1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)8-1-3-9(4-2-8)18-12-10(19)7-20-11-5-6-21-13(11)12/h1-6,10,12,18-19H,7H2
InChIKeyCUHMPRYEPNBJKJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol?
The IUPAC name of 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol (CID 174272818) is 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol.
What is the SMILES notation for 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol?
The canonical SMILES for 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol is OC1COc2ccsc2C1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol?
The InChIKey is CUHMPRYEPNBJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)8-1-3-9(4-2-8)18-12-10(19)7-20-11-5-6-21-13(11)12/h1-6,10,12,18-19H,7H2.
What are the key properties of 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol?
7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol has a molecular weight of 315.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol is sourced from PubChem (CID 174272818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).