2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane

C17H13BrF2O2 — CID 145082420

IUPAC2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H13BrF2O2/c1-16(21-6-7-22-16)10-2-4-12-13-5-3-11(18)9-15(13)17(19,20)14(12)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyISSBPZJMFKPNBX-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.79
Rot. Bonds1

About 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane

2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane (PubChem CID 145082420) has the molecular formula C17H13BrF2O2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
PubChem CID145082420
Molecular FormulaC17H13BrF2O2
Molecular Weight367.19 g/mol
Exact Mass366.01
IUPAC Name2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OCCO1
InChIInChI=1S/C17H13BrF2O2/c1-16(21-6-7-22-16)10-2-4-12-13-5-3-11(18)9-15(13)17(19,20)14(12)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyISSBPZJMFKPNBX-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane (CID 145082420) is 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane is CC1(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)OCCO1.
What is the InChIKey of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane?
The InChIKey is ISSBPZJMFKPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2O2/c1-16(21-6-7-22-16)10-2-4-12-13-5-3-11(18)9-15(13)17(19,20)14(12)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane?
2-(7-bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane has a molecular weight of 367.19 g/mol, XLogP of 4.79, 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-methyl-1,3-dioxolane is sourced from PubChem (CID 145082420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).