(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol

C12H9FO — CID 68705007

IUPAC(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol
SMILESO[C@H]1Cc2ccc(F)c3cccc1c23
InChIInChI=1S/C12H9FO/c13-10-5-4-7-6-11(14)9-3-1-2-8(10)12(7)9/h1-5,11,14H,6H2/t11-/m0/s1
InChIKeyLWFHNPVKAGGVSY-NSHDSACASA-N
MW188.20 g/mol
LogP2.57
Rot. Bonds

About (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol

(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol (PubChem CID 68705007) has the molecular formula C12H9FO and a molecular weight of 188.20 g/mol. Its IUPAC name is (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol
PubChem CID68705007
Molecular FormulaC12H9FO
Molecular Weight188.20 g/mol
Exact Mass188.06
IUPAC Name(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol
SMILESO[C@H]1Cc2ccc(F)c3cccc1c23
InChIInChI=1S/C12H9FO/c13-10-5-4-7-6-11(14)9-3-1-2-8(10)12(7)9/h1-5,11,14H,6H2/t11-/m0/s1
InChIKeyLWFHNPVKAGGVSY-NSHDSACASA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol (CID 68705007) is (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol is O[C@H]1Cc2ccc(F)c3cccc1c23.
What is the InChIKey of (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol?
The InChIKey is LWFHNPVKAGGVSY-NSHDSACASA-N. The full InChI is InChI=1S/C12H9FO/c13-10-5-4-7-6-11(14)9-3-1-2-8(10)12(7)9/h1-5,11,14H,6H2/t11-/m0/s1.
What are the key properties of (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol?
(1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol has a molecular weight of 188.20 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 68705007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).