1-bromo-2-propyl-4-(trifluoromethyl)benzene

C10H10BrF3 — CID 69108822

IUPAC1-bromo-2-propyl-4-(trifluoromethyl)benzene
SMILESCCCc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3/c1-2-3-7-6-8(10(12,13)14)4-5-9(7)11/h4-6H,2-3H2,1H3
InChIKeyIRDIREUDDFIHKY-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.42
Rot. Bonds2

About 1-bromo-2-propyl-4-(trifluoromethyl)benzene

1-bromo-2-propyl-4-(trifluoromethyl)benzene (PubChem CID 69108822) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-bromo-2-propyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-propyl-4-(trifluoromethyl)benzene
PubChem CID69108822
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-bromo-2-propyl-4-(trifluoromethyl)benzene
SMILESCCCc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3/c1-2-3-7-6-8(10(12,13)14)4-5-9(7)11/h4-6H,2-3H2,1H3
InChIKeyIRDIREUDDFIHKY-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-propyl-4-(trifluoromethyl)benzene (CID 69108822) is 1-bromo-2-propyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-propyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-propyl-4-(trifluoromethyl)benzene is CCCc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-bromo-2-propyl-4-(trifluoromethyl)benzene?
The InChIKey is IRDIREUDDFIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-2-3-7-6-8(10(12,13)14)4-5-9(7)11/h4-6H,2-3H2,1H3.
What are the key properties of 1-bromo-2-propyl-4-(trifluoromethyl)benzene?
1-bromo-2-propyl-4-(trifluoromethyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 69108822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).