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

C9H4BrF7 — CID 12040578

IUPAC1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFC(F)(F)C(F)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H4BrF7/c10-6-3-1-2-5(4-6)7(11,8(12,13)14)9(15,16)17/h1-4H
InChIKeyLORVCBHYPNKHCQ-UHFFFAOYSA-N
MW325.02 g/mol
LogP4.74
Rot. Bonds1

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

1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (PubChem CID 12040578) has the molecular formula C9H4BrF7 and a molecular weight of 325.02 g/mol. Its IUPAC name is 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
PubChem CID12040578
Molecular FormulaC9H4BrF7
Molecular Weight325.02 g/mol
Exact Mass323.94
IUPAC Name1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFC(F)(F)C(F)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H4BrF7/c10-6-3-1-2-5(4-6)7(11,8(12,13)14)9(15,16)17/h1-4H
InChIKeyLORVCBHYPNKHCQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.02
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The IUPAC name of 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (CID 12040578) is 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The canonical SMILES for 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is FC(F)(F)C(F)(c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The InChIKey is LORVCBHYPNKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF7/c10-6-3-1-2-5(4-6)7(11,8(12,13)14)9(15,16)17/h1-4H.
What are the key properties of 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene has a molecular weight of 325.02 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is sourced from PubChem (CID 12040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).