(5-bromo-1,1,1-trifluoropentan-3-yl)benzene

C11H12BrF3 — CID 54284721

IUPAC(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
SMILESFC(F)(F)CC(CCBr)c1ccccc1
InChIInChI=1S/C11H12BrF3/c12-7-6-10(8-11(13,14)15)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRTHDXDVCTOYGLO-UHFFFAOYSA-N
MW281.11 g/mol
LogP4.51
Rot. Bonds4

About (5-bromo-1,1,1-trifluoropentan-3-yl)benzene

(5-bromo-1,1,1-trifluoropentan-3-yl)benzene (PubChem CID 54284721) has the molecular formula C11H12BrF3 and a molecular weight of 281.11 g/mol. Its IUPAC name is (5-bromo-1,1,1-trifluoropentan-3-yl)benzene.

Molecular Properties

Compound Name(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
PubChem CID54284721
Molecular FormulaC11H12BrF3
Molecular Weight281.11 g/mol
Exact Mass280.01
IUPAC Name(5-bromo-1,1,1-trifluoropentan-3-yl)benzene
SMILESFC(F)(F)CC(CCBr)c1ccccc1
InChIInChI=1S/C11H12BrF3/c12-7-6-10(8-11(13,14)15)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRTHDXDVCTOYGLO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 54.51
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

5-bromo-3-phenylpentan-1-ol
CID 66988261
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(4,4,4-trifluoro-2-phenylbutyl)phosphonic acid
CID 66797426
[3,3,3-trifluoro-1-[(3,3,3-trifluoro-1-phenylpropyl)disulfanyl]propyl]benzene
CID 87128309
5,5,5-trifluoro-3-(4-methylphenyl)pentan-1-amine
CID 82534567
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
5-bromo-1-phenylpentan-1-ol
CID 121216668
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
(1,1,1-trifluoro-4,4-dimethylhexan-3-yl)benzene
CID 155261627
(1,5-difluoro-4-phenylpentan-2-yl)benzene
CID 59266877

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,1,1-trifluoropentan-3-yl)benzene?
The IUPAC name of (5-bromo-1,1,1-trifluoropentan-3-yl)benzene (CID 54284721) is (5-bromo-1,1,1-trifluoropentan-3-yl)benzene.
What is the SMILES notation for (5-bromo-1,1,1-trifluoropentan-3-yl)benzene?
The canonical SMILES for (5-bromo-1,1,1-trifluoropentan-3-yl)benzene is FC(F)(F)CC(CCBr)c1ccccc1.
What is the InChIKey of (5-bromo-1,1,1-trifluoropentan-3-yl)benzene?
The InChIKey is RTHDXDVCTOYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3/c12-7-6-10(8-11(13,14)15)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of (5-bromo-1,1,1-trifluoropentan-3-yl)benzene?
(5-bromo-1,1,1-trifluoropentan-3-yl)benzene has a molecular weight of 281.11 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,1,1-trifluoropentan-3-yl)benzene is sourced from PubChem (CID 54284721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).