(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene

C11H17ClF3O3P — CID 102396372

IUPAC(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene
SMILESCCOP(=O)(/C=C(\C=C(/F)C(F)(F)Cl)CC)OCC
InChIInChI=1S/C11H17ClF3O3P/c1-4-9(7-10(13)11(12,14)15)8-19(16,17-5-2)18-6-3/h7-8H,4-6H2,1-3H3/b9-8-,10-7-
InChIKeyDDIGZRHDJCTZFY-NFIXMJHSSA-N
MW320.68 g/mol
LogP5.23
Rot. Bonds8

About (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene

(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene (PubChem CID 102396372) has the molecular formula C11H17ClF3O3P and a molecular weight of 320.68 g/mol. Its IUPAC name is (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene.

Molecular Properties

Compound Name(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene
PubChem CID102396372
Molecular FormulaC11H17ClF3O3P
Molecular Weight320.68 g/mol
Exact Mass320.06
IUPAC Name(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene
SMILESCCOP(=O)(/C=C(\C=C(/F)C(F)(F)Cl)CC)OCC
InChIInChI=1S/C11H17ClF3O3P/c1-4-9(7-10(13)11(12,14)15)8-19(16,17-5-2)18-6-3/h7-8H,4-6H2,1-3H3/b9-8-,10-7-
InChIKeyDDIGZRHDJCTZFY-NFIXMJHSSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.68
LogP ≤ 55.23
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-diethoxyphosphoryl-5,5-difluoro-2-methylpenta-1,3-diene
CID 11470799
5-Diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
CID 14268061
6-Diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
CID 23236893
(1Z,3E)-2-chloro-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644830
(E)-4-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]hept-3-ene
CID 12644835
Diethyl (2-chloro-3-ethylpenta-1,3-dien-1-yl)phosphonate
CID 71321949
Diethyl (2-chloro-3-propylhexa-1,3-dien-1-yl)phosphonate
CID 71321951

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene?
The IUPAC name of (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene (CID 102396372) is (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene.
What is the SMILES notation for (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene?
The canonical SMILES for (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene is CCOP(=O)(/C=C(\C=C(/F)C(F)(F)Cl)CC)OCC.
What is the InChIKey of (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene?
The InChIKey is DDIGZRHDJCTZFY-NFIXMJHSSA-N. The full InChI is InChI=1S/C11H17ClF3O3P/c1-4-9(7-10(13)11(12,14)15)8-19(16,17-5-2)18-6-3/h7-8H,4-6H2,1-3H3/b9-8-,10-7-.
What are the key properties of (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene?
(Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene has a molecular weight of 320.68 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-1-chloro-4-(diethoxyphosphorylmethylidene)-1,1,2-trifluorohex-2-ene is sourced from PubChem (CID 102396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).