8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol

C11H11F3O2 — CID 68595983

IUPAC8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol
SMILESOC1CC(CF)(CF)Oc2c(F)cccc21
InChIInChI=1S/C11H11F3O2/c12-5-11(6-13)4-9(15)7-2-1-3-8(14)10(7)16-11/h1-3,9,15H,4-6H2
InChIKeyTVPBIYBFENROFN-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.32
Rot. Bonds2

About 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol

8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol (PubChem CID 68595983) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol
PubChem CID68595983
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol
SMILESOC1CC(CF)(CF)Oc2c(F)cccc21
InChIInChI=1S/C11H11F3O2/c12-5-11(6-13)4-9(15)7-2-1-3-8(14)10(7)16-11/h1-3,9,15H,4-6H2
InChIKeyTVPBIYBFENROFN-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol (CID 68595983) is 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol is OC1CC(CF)(CF)Oc2c(F)cccc21.
What is the InChIKey of 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol?
The InChIKey is TVPBIYBFENROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-5-11(6-13)4-9(15)7-2-1-3-8(14)10(7)16-11/h1-3,9,15H,4-6H2.
What are the key properties of 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol?
8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol has a molecular weight of 232.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 68595983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).