5-bromo-1,3-difluoro-2-methylbenzene;propane

C10H13BrF2 — CID 142352464

IUPAC5-bromo-1,3-difluoro-2-methylbenzene;propane
SMILESCCC.Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2.C3H8/c1-4-6(9)2-5(8)3-7(4)10;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyXESLPPCCYUZZAH-UHFFFAOYSA-N
MW251.11 g/mol
LogP4.45
Rot. Bonds

About 5-bromo-1,3-difluoro-2-methylbenzene;propane

5-bromo-1,3-difluoro-2-methylbenzene;propane (PubChem CID 142352464) has the molecular formula C10H13BrF2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-methylbenzene;propane.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-methylbenzene;propane
PubChem CID142352464
Molecular FormulaC10H13BrF2
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name5-bromo-1,3-difluoro-2-methylbenzene;propane
SMILESCCC.Cc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H5BrF2.C3H8/c1-4-6(9)2-5(8)3-7(4)10;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyXESLPPCCYUZZAH-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethyl 3-amino-3-(5-bromo-3-fluoro-2-methylphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-methylbenzene;propane?
The IUPAC name of 5-bromo-1,3-difluoro-2-methylbenzene;propane (CID 142352464) is 5-bromo-1,3-difluoro-2-methylbenzene;propane.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-methylbenzene;propane?
The canonical SMILES for 5-bromo-1,3-difluoro-2-methylbenzene;propane is CCC.Cc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-methylbenzene;propane?
The InChIKey is XESLPPCCYUZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2.C3H8/c1-4-6(9)2-5(8)3-7(4)10;1-3-2/h2-3H,1H3;3H2,1-2H3.
What are the key properties of 5-bromo-1,3-difluoro-2-methylbenzene;propane?
5-bromo-1,3-difluoro-2-methylbenzene;propane has a molecular weight of 251.11 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-methylbenzene;propane is sourced from PubChem (CID 142352464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).