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

C12H13FO — CID 18649602

IUPAC(1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
SMILESC=CCc1cccc2c1C[C@H](O)[C@H]2F
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/t11-,12-/m0/s1
InChIKeyGDEOHVQVDAXRHM-RYUDHWBXSA-N
MW192.23 g/mol
LogP2.34
Rot. Bonds2

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

(1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol (PubChem CID 18649602) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
PubChem CID18649602
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol
SMILESC=CCc1cccc2c1C[C@H](O)[C@H]2F
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/t11-,12-/m0/s1
InChIKeyGDEOHVQVDAXRHM-RYUDHWBXSA-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 (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol (CID 18649602) is (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol is C=CCc1cccc2c1C[C@H](O)[C@H]2F.
What is the InChIKey of (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is GDEOHVQVDAXRHM-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-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 (1S,2S)-1-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 18649602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).