1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene

C11H11BrF2 — CID 84729594

IUPAC1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
SMILESCC(F)(F)C1(c2ccccc2Br)CC1
InChIInChI=1S/C11H11BrF2/c1-10(13,14)11(6-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyUCDDOHLASJRQAC-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.14
Rot. Bonds2

About 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene

1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene (PubChem CID 84729594) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
PubChem CID84729594
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
SMILESCC(F)(F)C1(c2ccccc2Br)CC1
InChIInChI=1S/C11H11BrF2/c1-10(13,14)11(6-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyUCDDOHLASJRQAC-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1,1-difluoroethyl)cyclobutyl]phenol
CID 84723399
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
CID 84723107
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981
2-(2-bromophenyl)-2,3,3-trifluorothiirane
CID 151869522
1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
CID 115050949
4-(2-bromophenyl)-4-fluorothiane
CID 84730258
1-bromo-2-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047981
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene?
The IUPAC name of 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene (CID 84729594) is 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene?
The canonical SMILES for 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene is CC(F)(F)C1(c2ccccc2Br)CC1.
What is the InChIKey of 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene?
The InChIKey is UCDDOHLASJRQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c1-10(13,14)11(6-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3.
What are the key properties of 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene?
1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene has a molecular weight of 261.11 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene is sourced from PubChem (CID 84729594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).