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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Related Compounds

(2R,4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 68594553
(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
CID 174634370
(4R)-8-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
CID 68595502
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
6-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 75481471
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58765412
1-[(8-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
CID 83910538
(2S,4aS,10bS)-7-fluoro-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 110145797

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).