1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

C10H10BrF3 — CID 58538761

IUPAC1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCC(C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-9(2,10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyLCCQUAUGYNBEHE-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.29
Rot. Bonds1

About 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (PubChem CID 58538761) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
PubChem CID58538761
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
SMILESCC(C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-9(2,10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyLCCQUAUGYNBEHE-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The IUPAC name of 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene (CID 58538761) is 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is CC(C)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
The InChIKey is LCCQUAUGYNBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-9(2,10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene?
1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 58538761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).