1-ethyl-5-fluoro-2,3-dihydroinden-1-ol

C11H13FO — CID 59340428

IUPAC1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C11H13FO/c1-2-11(13)6-5-8-7-9(12)3-4-10(8)11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyDZRZSFLZXCZKLV-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.37
Rot. Bonds1

About 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol

1-ethyl-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 59340428) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID59340428
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C11H13FO/c1-2-11(13)6-5-8-7-9(12)3-4-10(8)11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyDZRZSFLZXCZKLV-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol (CID 59340428) is 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol is CCC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is DZRZSFLZXCZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-2-11(13)6-5-8-7-9(12)3-4-10(8)11/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol?
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 59340428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).