4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene

C11H11BrF2 — CID 171633746

IUPAC4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene
SMILESCC1(c2ccc(Br)cc2C(F)F)CC1
InChIInChI=1S/C11H11BrF2/c1-11(4-5-11)9-3-2-7(12)6-8(9)10(13)14/h2-3,6,10H,4-5H2,1H3
InChIKeyUYTPPBVJUPIYEW-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.44
Rot. Bonds2

About 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene

4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene (PubChem CID 171633746) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene
PubChem CID171633746
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene
SMILESCC1(c2ccc(Br)cc2C(F)F)CC1
InChIInChI=1S/C11H11BrF2/c1-11(4-5-11)9-3-2-7(12)6-8(9)10(13)14/h2-3,6,10H,4-5H2,1H3
InChIKeyUYTPPBVJUPIYEW-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 343798
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1-Bromo-4-cyclopropylbenzene
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1-Bromo-4-(2-methylbutan-2-yl)benzene
CID 12900989
1-Bromo-4-(heptadecafluorooctyl)benzene
CID 4117657
1-Bromo-4-(1H,1H-perfluoro-2,2-dimethylpentyl)benzene
CID 10719829
1-Bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene
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1-Bromo-4-[1-(trifluoromethyl)cyclopropyl]benzene
CID 50998558
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CID 10344855

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene?
The IUPAC name of 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene (CID 171633746) is 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene is CC1(c2ccc(Br)cc2C(F)F)CC1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene?
The InChIKey is UYTPPBVJUPIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c1-11(4-5-11)9-3-2-7(12)6-8(9)10(13)14/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene?
4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene has a molecular weight of 261.11 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-1-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 171633746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).