(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol

C12H15FO2 — CID 57230984

IUPAC(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
SMILESCC1=CC(C)(C)OC2=C1[C@H](O)CC=C2F
InChIInChI=1S/C12H15FO2/c1-7-6-12(2,3)15-11-8(13)4-5-9(14)10(7)11/h4,6,9,14H,5H2,1-3H3/t9-/m1/s1
InChIKeyQPPMQAOAPZUZAX-SECBINFHSA-N
MW210.25 g/mol
LogP2.61
Rot. Bonds

About (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol

(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol (PubChem CID 57230984) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol.

Molecular Properties

Compound Name(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
PubChem CID57230984
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
SMILESCC1=CC(C)(C)OC2=C1[C@H](O)CC=C2F
InChIInChI=1S/C12H15FO2/c1-7-6-12(2,3)15-11-8(13)4-5-9(14)10(7)11/h4,6,9,14H,5H2,1-3H3/t9-/m1/s1
InChIKeyQPPMQAOAPZUZAX-SECBINFHSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The IUPAC name of (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol (CID 57230984) is (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol.
What is the SMILES notation for (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The canonical SMILES for (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol is CC1=CC(C)(C)OC2=C1[C@H](O)CC=C2F.
What is the InChIKey of (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The InChIKey is QPPMQAOAPZUZAX-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FO2/c1-7-6-12(2,3)15-11-8(13)4-5-9(14)10(7)11/h4,6,9,14H,5H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol has a molecular weight of 210.25 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol is sourced from PubChem (CID 57230984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).