5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol

C14H13FOS — CID 116531798

IUPAC5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3cc(F)ccc32)s1
InChIInChI=1S/C14H13FOS/c1-9-2-5-13(17-9)14(16)7-6-10-8-11(15)3-4-12(10)14/h2-5,8,16H,6-7H2,1H3
InChIKeyUBECMNIWMTZMPZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.38
Rot. Bonds1

About 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol

5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol (PubChem CID 116531798) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
PubChem CID116531798
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3cc(F)ccc32)s1
InChIInChI=1S/C14H13FOS/c1-9-2-5-13(17-9)14(16)7-6-10-8-11(15)3-4-12(10)14/h2-5,8,16H,6-7H2,1H3
InChIKeyUBECMNIWMTZMPZ-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol (CID 116531798) is 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol is Cc1ccc(C2(O)CCc3cc(F)ccc32)s1.
What is the InChIKey of 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The InChIKey is UBECMNIWMTZMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-9-2-5-13(17-9)14(16)7-6-10-8-11(15)3-4-12(10)14/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol has a molecular weight of 248.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).