6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

C11H13FO2 — CID 10867240

IUPAC6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C11H13FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,13H,6H2,1-2H3
InChIKeyBEZSNFOXBWMXRK-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.42
Rot. Bonds

About 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 10867240) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID10867240
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C11H13FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,13H,6H2,1-2H3
InChIKeyBEZSNFOXBWMXRK-UHFFFAOYSA-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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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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 10867240) is 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)CC(O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is BEZSNFOXBWMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,13H,6H2,1-2H3.
What are the key properties of 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
6-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 6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 10867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).