2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene

C7H13Cl2O3P — CID 21426241

IUPAC2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
SMILESC=C(C)P(=O)(OCCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-7(2)13(10,11-5-3-8)12-6-4-9/h1,3-6H2,2H3
InChIKeyRQOYZWVWLUEMDN-UHFFFAOYSA-N
MW247.06 g/mol
LogP3.22
Rot. Bonds7

About 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene

2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene (PubChem CID 21426241) has the molecular formula C7H13Cl2O3P and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
PubChem CID21426241
Molecular FormulaC7H13Cl2O3P
Molecular Weight247.06 g/mol
Exact Mass246.00
IUPAC Name2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene
SMILESC=C(C)P(=O)(OCCCl)OCCCl
InChIInChI=1S/C7H13Cl2O3P/c1-7(2)13(10,11-5-3-8)12-6-4-9/h1,3-6H2,2H3
InChIKeyRQOYZWVWLUEMDN-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloro-1-methylethyl) isopropenylphosphonate
CID 247502
2-Chloropropyl 2,2-dichloroethenyl ethyl phosphate
CID 115793
2-Chloroethyl 2,2-dichloroethenyl propyl phosphate
CID 116448
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525126
1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
CID 135080737
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
Phosphonic acid,2-dichlor-1-(dichloromethyl)ethyl]-, diethyl ester
CID 329084
1-[[(Z)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
CID 13501747
Diethyl (3-chloroallyl)phosphonate
CID 86010

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The IUPAC name of 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene (CID 21426241) is 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene.
What is the SMILES notation for 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The canonical SMILES for 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene is C=C(C)P(=O)(OCCCl)OCCCl.
What is the InChIKey of 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
The InChIKey is RQOYZWVWLUEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2O3P/c1-7(2)13(10,11-5-3-8)12-6-4-9/h1,3-6H2,2H3.
What are the key properties of 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene?
2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene has a molecular weight of 247.06 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chloroethoxy)phosphoryl]prop-1-ene is sourced from PubChem (CID 21426241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).