(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

C11H13FO2 — CID 10888842

IUPAC(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@@H](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/t9-/m1/s1
InChIKeyBEZSNFOXBWMXRK-SECBINFHSA-N
MW196.22 g/mol
LogP2.42
Rot. Bonds

About (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 10888842) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID10888842
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@@H](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/t9-/m1/s1
InChIKeyBEZSNFOXBWMXRK-SECBINFHSA-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

(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
CID 68876636
CID 68876636
(4S)-2-cyclopropyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 104948041
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 10888842) is (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)C[C@@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is BEZSNFOXBWMXRK-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
(4R)-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 (4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 10888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).