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

C16H11BrF2O2 — CID 171758092

IUPAC2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C16H11BrF2O2/c17-10-2-4-12-11-3-1-9(15-20-5-6-21-15)7-13(11)16(18,19)14(12)8-10/h1-4,7-8,15H,5-6H2
InChIKeyMDCZRUWCOVJBNF-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.61
Rot. Bonds1

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

2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane (PubChem CID 171758092) has the molecular formula C16H11BrF2O2 and a molecular weight of 353.16 g/mol. Its IUPAC name is 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
PubChem CID171758092
Molecular FormulaC16H11BrF2O2
Molecular Weight353.16 g/mol
Exact Mass351.99
IUPAC Name2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21
InChIInChI=1S/C16H11BrF2O2/c17-10-2-4-12-11-3-1-9(15-20-5-6-21-15)7-13(11)16(18,19)14(12)8-10/h1-4,7-8,15H,5-6H2
InChIKeyMDCZRUWCOVJBNF-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-(4-(2-bromo-5-methylstyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713794
2-[4-(6-bromo-1H-inden-2-yl)-3-fluorophenyl]-1,3-dioxane
CID 67575726
(1R)-4-bromo-1-(1-methoxyethoxy)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 132127347
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)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
2-[4-Bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane
CID 169175242
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
(2S)-2-(6-bromonaphthalen-2-yl)-4,4-dimethyl-1,3-dioxolane
CID 134947606
2-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-1,3-dioxolane
CID 15497778
2-[4-Bromo-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 145705768

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane (CID 171758092) is 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane is FC1(F)c2cc(Br)ccc2-c2ccc(C3OCCO3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane?
The InChIKey is MDCZRUWCOVJBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2O2/c17-10-2-4-12-11-3-1-9(15-20-5-6-21-15)7-13(11)16(18,19)14(12)8-10/h1-4,7-8,15H,5-6H2.
What are the key properties of 2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane?
2-(7-bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane has a molecular weight of 353.16 g/mol, XLogP of 4.61, 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)-1,3-dioxolane is sourced from PubChem (CID 171758092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).