2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide

C7BrF11O — CID 87352429

IUPAC2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide
SMILESO=C(Br)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7BrF11O/c8-3(20)1(9)2(10)4(11,12)5(13,14)6(15,16)7(17,18)19
InChIKeyOHOXGZHNYUERHK-UHFFFAOYSA-N
MW388.96 g/mol
LogP4.53
Rot. Bonds4

About 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide

2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide (PubChem CID 87352429) has the molecular formula C7BrF11O and a molecular weight of 388.96 g/mol. Its IUPAC name is 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide.

Molecular Properties

Compound Name2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide
PubChem CID87352429
Molecular FormulaC7BrF11O
Molecular Weight388.96 g/mol
Exact Mass387.90
IUPAC Name2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide
SMILESO=C(Br)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7BrF11O/c8-3(20)1(9)2(10)4(11,12)5(13,14)6(15,16)7(17,18)19
InChIKeyOHOXGZHNYUERHK-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-3-en-2-one
CID 71329203
(2E,4E)-2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptacosafluorohexadeca-2,4-dienoic acid
CID 163324826
(2E,4E)-2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundeca-2,4-dienoic acid
CID 163324832
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl bromide
CID 141353150
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-docosafluoro-2-(trifluoromethyl)tridec-2-enoic acid
CID 172777166
2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11-hexadecafluorododeca-2,10-dienedioic acid
CID 173141414
(E)-2,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-phenylhept-2-en-1-one
CID 12014649
(2E,4E)-1,1,2,3,4,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadeca-2,4-diene-1-sulfonic acid
CID 163324709
methane;1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-1-ene;3,4,4-trifluorobut-3-en-2-one
CID 160651878
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl chloride
CID 2782569
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoyl chloride
CID 155662844

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide?
The IUPAC name of 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide (CID 87352429) is 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide.
What is the SMILES notation for 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide?
The canonical SMILES for 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide is O=C(Br)C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide?
The InChIKey is OHOXGZHNYUERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7BrF11O/c8-3(20)1(9)2(10)4(11,12)5(13,14)6(15,16)7(17,18)19.
What are the key properties of 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide?
2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide has a molecular weight of 388.96 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,5,5,6,6,7,7,7-undecafluorohept-2-enoyl bromide is sourced from PubChem (CID 87352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).