1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene

C6H10Cl3O2P — CID 23260913

IUPAC1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(Cl)C(C)C)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3O2P/c1-4(2)12(9,10)11-5(3)6(7)8/h4H,1-3H3
InChIKeyNQWADKNOYPWZDW-UHFFFAOYSA-N
MW251.48 g/mol
LogP4.51
Rot. Bonds3

About 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene

1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene (PubChem CID 23260913) has the molecular formula C6H10Cl3O2P and a molecular weight of 251.48 g/mol. Its IUPAC name is 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene
PubChem CID23260913
Molecular FormulaC6H10Cl3O2P
Molecular Weight251.48 g/mol
Exact Mass249.95
IUPAC Name1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene
SMILESCC(OP(=O)(Cl)C(C)C)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3O2P/c1-4(2)12(9,10)11-5(3)6(7)8/h4H,1-3H3
InChIKeyNQWADKNOYPWZDW-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-Dichloroprop-1-en-2-yl dimethyl phosphate
CID 53911682
1,1-Dichloroprop-1-en-2-yloxy(prop-2-enyl)phosphinic acid
CID 88762004
1,1-Dichloro-2-[chloro(1,1-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
CID 12769893
1,1-Dichloro-2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxyprop-1-ene
CID 23261074
1,1-Dichloroprop-1-en-2-yloxy-ethoxy-oxophosphanium
CID 23262847

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene (CID 23260913) is 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene is CC(OP(=O)(Cl)C(C)C)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene?
The InChIKey is NQWADKNOYPWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3O2P/c1-4(2)12(9,10)11-5(3)6(7)8/h4H,1-3H3.
What are the key properties of 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene?
1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene has a molecular weight of 251.48 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-[chloro(propan-2-yl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 23260913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).