4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene

C13H12BrF3 — CID 146663955

IUPAC4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)ccc1C1=CCCC1
InChIInChI=1S/C13H12BrF3/c14-8-9-5-6-11(10-3-1-2-4-10)12(7-9)13(15,16)17/h3,5-7H,1-2,4,8H2
InChIKeyYXLRFUPTOYBUSZ-UHFFFAOYSA-N
MW305.14 g/mol
LogP5.17
Rot. Bonds2

About 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene

4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene (PubChem CID 146663955) has the molecular formula C13H12BrF3 and a molecular weight of 305.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene
PubChem CID146663955
Molecular FormulaC13H12BrF3
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)ccc1C1=CCCC1
InChIInChI=1S/C13H12BrF3/c14-8-9-5-6-11(10-3-1-2-4-10)12(7-9)13(15,16)17/h3,5-7H,1-2,4,8H2
InChIKeyYXLRFUPTOYBUSZ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.14
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene (CID 146663955) is 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(CBr)ccc1C1=CCCC1.
What is the InChIKey of 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene?
The InChIKey is YXLRFUPTOYBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3/c14-8-9-5-6-11(10-3-1-2-4-10)12(7-9)13(15,16)17/h3,5-7H,1-2,4,8H2.
What are the key properties of 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene?
4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene has a molecular weight of 305.14 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(cyclopenten-1-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 146663955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).