chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid

C7H12Br2ClO3P — CID 88759866

IUPACchloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CCl)C(Br)CBr
InChIInChI=1S/C7H12Br2ClO3P/c1-2-3-7(6(9)4-8)13-14(11,12)5-10/h2,6-7H,1,3-5H2,(H,11,12)
InChIKeySRFWQYJIKPSACP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds7

About chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid

chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid (PubChem CID 88759866) has the molecular formula C7H12Br2ClO3P and a molecular weight of 370.41 g/mol. Its IUPAC name is chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid.

Molecular Properties

Compound Namechloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid
PubChem CID88759866
Molecular FormulaC7H12Br2ClO3P
Molecular Weight370.41 g/mol
Exact Mass367.86
IUPAC Namechloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CCl)C(Br)CBr
InChIInChI=1S/C7H12Br2ClO3P/c1-2-3-7(6(9)4-8)13-14(11,12)5-10/h2,6-7H,1,3-5H2,(H,11,12)
InChIKeySRFWQYJIKPSACP-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,4-dibromobutan-2-yl dihydrogen phosphate
CID 21122934
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
5-carboxyoxyocta-1,7-dien-4-yl hydrogen carbonate
CID 118472254
[(2S)-1-bromopropan-2-yl] dihydrogen phosphate
CID 174150098
chloromethyl(hexa-1,5-diyn-3-yloxy)phosphinic acid
CID 88762023
2,3-dibromopropoxy(2,3-dibromopropyl)phosphinic acid
CID 88814489
tris[hepta-1,6-dien-4-yl(dimethyl)silyl] phosphate
CID 156853003
5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide
CID 174746047
2-chloropent-4-enoic acid
CID 20540306
3-prop-2-enylhex-5-enoylphosphonic acid
CID 87462460

Frequently Asked Questions

What is the IUPAC name of chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid?
The IUPAC name of chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid (CID 88759866) is chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid.
What is the SMILES notation for chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid?
The canonical SMILES for chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid is C=CCC(OP(=O)(O)CCl)C(Br)CBr.
What is the InChIKey of chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid?
The InChIKey is SRFWQYJIKPSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2ClO3P/c1-2-3-7(6(9)4-8)13-14(11,12)5-10/h2,6-7H,1,3-5H2,(H,11,12).
What are the key properties of chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid?
chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid has a molecular weight of 370.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(1,2-dibromohex-5-en-3-yloxy)phosphinic acid is sourced from PubChem (CID 88759866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).