5-bromo-6,6-difluorohex-5-enoic acid

C6H7BrF2O2 — CID 57142624

IUPAC5-bromo-6,6-difluorohex-5-enoic acid
SMILESO=C(O)CCCC(Br)=C(F)F
InChIInChI=1S/C6H7BrF2O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11)
InChIKeyZBOQLDBRRUAVCY-UHFFFAOYSA-N
MW229.02 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-6,6-difluorohex-5-enoic acid

5-bromo-6,6-difluorohex-5-enoic acid (PubChem CID 57142624) has the molecular formula C6H7BrF2O2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 5-bromo-6,6-difluorohex-5-enoic acid.

Molecular Properties

Compound Name5-bromo-6,6-difluorohex-5-enoic acid
PubChem CID57142624
Molecular FormulaC6H7BrF2O2
Molecular Weight229.02 g/mol
Exact Mass227.96
IUPAC Name5-bromo-6,6-difluorohex-5-enoic acid
SMILESO=C(O)CCCC(Br)=C(F)F
InChIInChI=1S/C6H7BrF2O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11)
InChIKeyZBOQLDBRRUAVCY-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
CID 87067075
CID 87067075
pentanedioic acid;stibane
CID 173344083
5,8,11,14-tetraoxooctadecanedioic acid
CID 57306200
hydrazine;pentanedioic acid;dihydrate
CID 172730564
chloromethane;pentanedioic acid
CID 159659659
3-bromopropanoic acid;methane
CID 87431131
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,6-difluorohex-5-enoic acid?
The IUPAC name of 5-bromo-6,6-difluorohex-5-enoic acid (CID 57142624) is 5-bromo-6,6-difluorohex-5-enoic acid.
What is the SMILES notation for 5-bromo-6,6-difluorohex-5-enoic acid?
The canonical SMILES for 5-bromo-6,6-difluorohex-5-enoic acid is O=C(O)CCCC(Br)=C(F)F.
What is the InChIKey of 5-bromo-6,6-difluorohex-5-enoic acid?
The InChIKey is ZBOQLDBRRUAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11).
What are the key properties of 5-bromo-6,6-difluorohex-5-enoic acid?
5-bromo-6,6-difluorohex-5-enoic acid has a molecular weight of 229.02 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,6-difluorohex-5-enoic acid is sourced from PubChem (CID 57142624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).