6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol

C10H10F2O2 — CID 70654576

IUPAC6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(F)cc(F)cc21
InChIInChI=1S/C10H10F2O2/c1-10(13)2-3-14-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyWVVAWZMURBKWJZ-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.95
Rot. Bonds

About 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol

6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol (PubChem CID 70654576) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol
PubChem CID70654576
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)CCOc2c(F)cc(F)cc21
InChIInChI=1S/C10H10F2O2/c1-10(13)2-3-14-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyWVVAWZMURBKWJZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol (CID 70654576) is 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol is CC1(O)CCOc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol?
The InChIKey is WVVAWZMURBKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-10(13)2-3-14-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol?
6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol has a molecular weight of 200.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-methyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 70654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).