1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene

C10H3BrF10 — CID 154685385

IUPAC1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1Br
InChIInChI=1S/C10H3BrF10/c11-6-2-1-4(3-5(6)8(13,14)15)7(12,9(16,17)18)10(19,20)21/h1-3H
InChIKeyXGHGFOYCSFQRON-UHFFFAOYSA-N
MW393.02 g/mol
LogP5.76
Rot. Bonds1

About 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene

1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene (PubChem CID 154685385) has the molecular formula C10H3BrF10 and a molecular weight of 393.02 g/mol. Its IUPAC name is 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
PubChem CID154685385
Molecular FormulaC10H3BrF10
Molecular Weight393.02 g/mol
Exact Mass391.93
IUPAC Name1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1Br
InChIInChI=1S/C10H3BrF10/c11-6-2-1-4(3-5(6)8(13,14)15)7(12,9(16,17)18)10(19,20)21/h1-3H
InChIKeyXGHGFOYCSFQRON-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.02
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-bromo-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131433063
1-bromo-2-tert-butyl-4-(trifluoromethyl)benzene
CID 145078321
2-bromo-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)benzene
CID 123549410
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
1,3-dibromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 91107676
[4-bromo-3-(trifluoromethyl)phenyl]-oxosulfanium
CID 174512968
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
CID 164892534
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
1-bromo-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 141113367
2-[2-bromo-5-(trifluoromethyl)phenyl]-2-ethylbutanenitrile
CID 118325014
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene (CID 154685385) is 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1Br.
What is the InChIKey of 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene?
The InChIKey is XGHGFOYCSFQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrF10/c11-6-2-1-4(3-5(6)8(13,14)15)7(12,9(16,17)18)10(19,20)21/h1-3H.
What are the key properties of 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene?
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene has a molecular weight of 393.02 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 154685385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).