4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol

C14H13FO2 — CID 83173066

IUPAC4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccoc2)CCc2c(F)cccc21
InChIInChI=1S/C14H13FO2/c15-13-3-1-2-12-11(13)4-6-14(12,16)8-10-5-7-17-9-10/h1-3,5,7,9,16H,4,6,8H2
InChIKeyLJHWUUYKSJNYGV-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.80
Rot. Bonds2

About 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol

4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol (PubChem CID 83173066) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
PubChem CID83173066
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccoc2)CCc2c(F)cccc21
InChIInChI=1S/C14H13FO2/c15-13-3-1-2-12-11(13)4-6-14(12,16)8-10-5-7-17-9-10/h1-3,5,7,9,16H,4,6,8H2
InChIKeyLJHWUUYKSJNYGV-UHFFFAOYSA-N
XLogP2.80
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol (CID 83173066) is 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol is OC1(Cc2ccoc2)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol?
The InChIKey is LJHWUUYKSJNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c15-13-3-1-2-12-11(13)4-6-14(12,16)8-10-5-7-17-9-10/h1-3,5,7,9,16H,4,6,8H2.
What are the key properties of 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol has a molecular weight of 232.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83173066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).