1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene

C11H13BrF2O — CID 69482354

IUPAC1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene
SMILESCCc1c(Br)ccc(OC(F)F)c1CC
InChIInChI=1S/C11H13BrF2O/c1-3-7-8(4-2)10(15-11(13)14)6-5-9(7)12/h5-6,11H,3-4H2,1-2H3
InChIKeyTWEVHXSHCMORPO-UHFFFAOYSA-N
MW279.12 g/mol
LogP4.18
Rot. Bonds4

About 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene

1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene (PubChem CID 69482354) has the molecular formula C11H13BrF2O and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene
PubChem CID69482354
Molecular FormulaC11H13BrF2O
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene
SMILESCCc1c(Br)ccc(OC(F)F)c1CC
InChIInChI=1S/C11H13BrF2O/c1-3-7-8(4-2)10(15-11(13)14)6-5-9(7)12/h5-6,11H,3-4H2,1-2H3
InChIKeyTWEVHXSHCMORPO-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene?
The IUPAC name of 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene (CID 69482354) is 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene.
What is the SMILES notation for 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene?
The canonical SMILES for 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene is CCc1c(Br)ccc(OC(F)F)c1CC.
What is the InChIKey of 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene?
The InChIKey is TWEVHXSHCMORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O/c1-3-7-8(4-2)10(15-11(13)14)6-5-9(7)12/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene?
1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene has a molecular weight of 279.12 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethoxy)-2,3-diethylbenzene is sourced from PubChem (CID 69482354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).