1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene

C10H8BrF3 — CID 86277431

IUPAC1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H8BrF3/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6H,4-5H2
InChIKeyDNGMIQNMZJTKMF-UHFFFAOYSA-N
MW265.07 g/mol
LogP4.04
Rot. Bonds1

About 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene

1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 86277431) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
PubChem CID86277431
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H8BrF3/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6H,4-5H2
InChIKeyDNGMIQNMZJTKMF-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene (CID 86277431) is 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene is FC(F)(F)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is DNGMIQNMZJTKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6H,4-5H2.
What are the key properties of 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene?
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 265.07 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 86277431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).