2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol

C12H13FO — CID 14515313

IUPAC2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
SMILESC=CCc1cccc2c1CC(F)C2O
InChIInChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(13)12(9)14/h2-3,5-6,11-12,14H,1,4,7H2
InChIKeyAZPOZEDJNCLWNH-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.34
Rot. Bonds2

About 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol

2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 14515313) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
PubChem CID14515313
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
SMILESC=CCc1cccc2c1CC(F)C2O
InChIInChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(13)12(9)14/h2-3,5-6,11-12,14H,1,4,7H2
InChIKeyAZPOZEDJNCLWNH-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol (CID 14515313) is 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol is C=CCc1cccc2c1CC(F)C2O.
What is the InChIKey of 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AZPOZEDJNCLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(13)12(9)14/h2-3,5-6,11-12,14H,1,4,7H2.
What are the key properties of 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol?
2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 192.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 14515313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).