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

C12H13FO — CID 14515303

IUPAC1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
SMILESC=CCc1cccc2c1CC(O)C2F
InChIInChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(14)12(9)13/h2-3,5-6,11-12,14H,1,4,7H2
InChIKeyGDEOHVQVDAXRHM-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.34
Rot. Bonds2

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

1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol (PubChem CID 14515303) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
PubChem CID14515303
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
SMILESC=CCc1cccc2c1CC(O)C2F
InChIInChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(14)12(9)13/h2-3,5-6,11-12,14H,1,4,7H2
InChIKeyGDEOHVQVDAXRHM-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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Related Compounds

1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
9H-Fluorene-9-methanol
CID 90466
2-Indanol
CID 77936
1-Fluorenemethanol
CID 52307
2-Indanmethanol
CID 228873
2-Phenylcyclopentan-1-ol
CID 316766
(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
3-(Trifluoromethyl)phenethylic alcohol
CID 95926
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
CID 102580
1-(3-Trifluoromethylphenyl)-2-propanol
CID 150791

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol (CID 14515303) is 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol is C=CCc1cccc2c1CC(O)C2F.
What is the InChIKey of 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is GDEOHVQVDAXRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-2-4-8-5-3-6-9-10(8)7-11(14)12(9)13/h2-3,5-6,11-12,14H,1,4,7H2.
What are the key properties of 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-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 1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 14515303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).