(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

C11H13FO2 — CID 68593892

IUPAC(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C11H13FO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9,13H,6H2,1-2H3/t9-/m0/s1
InChIKeyVKQRGTIFVIJNBM-VIFPVBQESA-N
MW196.22 g/mol
LogP2.42
Rot. Bonds

About (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 68593892) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID68593892
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@H](O)c2ccc(F)cc2O1
InChIInChI=1S/C11H13FO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9,13H,6H2,1-2H3/t9-/m0/s1
InChIKeyVKQRGTIFVIJNBM-VIFPVBQESA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 92890
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CID 156221
2-[(4E,8E)-11-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienylidene]propane-1,3-diol
CID 73603963
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CID 184893
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CID 98049

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 68593892) is (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)C[C@H](O)c2ccc(F)cc2O1.
What is the InChIKey of (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is VKQRGTIFVIJNBM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9,13H,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
(4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 196.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 68593892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).