5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol

C12H13FO — CID 116531622

IUPAC5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
SMILESC=CCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C12H13FO/c1-2-6-12(14)7-5-9-8-10(13)3-4-11(9)12/h2-4,8,14H,1,5-7H2
InChIKeyTZDQPHZCDDPFCN-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.54
Rot. Bonds2

About 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol

5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol (PubChem CID 116531622) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
PubChem CID116531622
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
SMILESC=CCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C12H13FO/c1-2-6-12(14)7-5-9-8-10(13)3-4-11(9)12/h2-4,8,14H,1,5-7H2
InChIKeyTZDQPHZCDDPFCN-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol (CID 116531622) is 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol is C=CCC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol?
The InChIKey is TZDQPHZCDDPFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-6-12(14)7-5-9-8-10(13)3-4-11(9)12/h2-4,8,14H,1,5-7H2.
What are the key properties of 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol?
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol has a molecular weight of 192.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).