1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene

C14H11BrF2O — CID 166449831

IUPAC1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene
SMILESFC(F)COc1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C14H11BrF2O/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8,14H,9H2
InChIKeyKAMLKYCLNQLRAE-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.76
Rot. Bonds4

About 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene

1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene (PubChem CID 166449831) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene
PubChem CID166449831
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene
SMILESFC(F)COc1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C14H11BrF2O/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8,14H,9H2
InChIKeyKAMLKYCLNQLRAE-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene (CID 166449831) is 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene is FC(F)COc1cccc(-c2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene?
The InChIKey is KAMLKYCLNQLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8,14H,9H2.
What are the key properties of 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene?
1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene has a molecular weight of 313.14 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-(2,2-difluoroethoxy)phenyl]benzene is sourced from PubChem (CID 166449831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).