2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane

C10H9BrF2O2 — CID 169175242

IUPAC2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)c1cc(Br)ccc1C1OCCO1
InChIInChI=1S/C10H9BrF2O2/c11-6-1-2-7(8(5-6)9(12)13)10-14-3-4-15-10/h1-2,5,9-10H,3-4H2
InChIKeyQVRZYUPCNMKFQR-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.43
Rot. Bonds2

About 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane

2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 169175242) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane
PubChem CID169175242
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)c1cc(Br)ccc1C1OCCO1
InChIInChI=1S/C10H9BrF2O2/c11-6-1-2-7(8(5-6)9(12)13)10-14-3-4-15-10/h1-2,5,9-10H,3-4H2
InChIKeyQVRZYUPCNMKFQR-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
1-Bromo-3-(diethoxymethyl)benzene
CID 2733543
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
1,2-Dibromo-4,5-bis(2,2,2-trifluoroethoxymethyl)benzene
CID 12606466
5-Bromo-2-(diethoxymethyl)-1,3-difluorobenzene
CID 58335267
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852
2-[2-Bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 102433052

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane (CID 169175242) is 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane is FC(F)c1cc(Br)ccc1C1OCCO1.
What is the InChIKey of 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is QVRZYUPCNMKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c11-6-1-2-7(8(5-6)9(12)13)10-14-3-4-15-10/h1-2,5,9-10H,3-4H2.
What are the key properties of 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane?
2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 279.08 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(difluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 169175242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).