2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane

C20H19BrF2O2 — CID 145082424

IUPAC2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC1(C)COC(C)(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H19BrF2O2/c1-18(2)10-24-19(3,25-11-18)12-4-6-14-15-7-5-13(21)9-17(15)20(22,23)16(14)8-12/h4-9H,10-11H2,1-3H3
InChIKeyMPYSRNORJZYILR-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.82
Rot. Bonds1

About 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane

2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane (PubChem CID 145082424) has the molecular formula C20H19BrF2O2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
PubChem CID145082424
Molecular FormulaC20H19BrF2O2
Molecular Weight409.27 g/mol
Exact Mass408.05
IUPAC Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
SMILESCC1(C)COC(C)(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OC1
InChIInChI=1S/C20H19BrF2O2/c1-18(2)10-24-19(3,25-11-18)12-4-6-14-15-7-5-13(21)9-17(15)20(22,23)16(14)8-12/h4-9H,10-11H2,1-3H3
InChIKeyMPYSRNORJZYILR-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(6-bromo-1H-inden-2-yl)-3-fluorophenyl]-1,3-dioxane
CID 67575726
2-[4-(4-Bromo-3,5-difluorophenyl)-2-(difluoromethyl)-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 87295165
(1R)-4-bromo-1-(1-methoxyethoxy)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 132127347
2-[4-[4-Bromo-2-(difluoromethyl)-3,5-difluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 140551271
2',2'-Dimethyl-6-(phenylmethoxymethyl)-1-[2-(trifluoromethyl)phenyl]spiro[1,2-dihydroindene-3,5'-1,3-dioxane]
CID 140877864
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
CID 145082417
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
CID 145082421
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
2-(4-Bromophenyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxane
CID 57679585
2-(4-Bromophenyl)-2-(3,5,5,8,8-pentamethylnaphthalen-2-yl)-1,3-dioxane
CID 57679634

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane (CID 145082424) is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane is CC1(C)COC(C)(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OC1.
What is the InChIKey of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is MPYSRNORJZYILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2O2/c1-18(2)10-24-19(3,25-11-18)12-4-6-14-15-7-5-13(21)9-17(15)20(22,23)16(14)8-12/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane?
2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 409.27 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 145082424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).