1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene

C10H8BrF3 — CID 130539881

IUPAC1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1CC1Br
InChIInChI=1S/C10H8BrF3/c11-9-5-7(9)6-3-1-2-4-8(6)10(12,13)14/h1-4,7,9H,5H2
InChIKeyOJGHGRBCCYZLMY-UHFFFAOYSA-N
MW265.07 g/mol
LogP3.96
Rot. Bonds1

About 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene

1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene (PubChem CID 130539881) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
PubChem CID130539881
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1CC1Br
InChIInChI=1S/C10H8BrF3/c11-9-5-7(9)6-3-1-2-4-8(6)10(12,13)14/h1-4,7,9H,5H2
InChIKeyOJGHGRBCCYZLMY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
CID 122393737
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene (CID 130539881) is 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1C1CC1Br.
What is the InChIKey of 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene?
The InChIKey is OJGHGRBCCYZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3/c11-9-5-7(9)6-3-1-2-4-8(6)10(12,13)14/h1-4,7,9H,5H2.
What are the key properties of 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene?
1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene has a molecular weight of 265.07 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 130539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).