(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene

C12H22F3O3P — CID 10470157

IUPAC(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
SMILESCCC/C(C)=C(\CP(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C12H22F3O3P/c1-5-8-10(4)11(12(13,14)15)9-19(16,17-6-2)18-7-3/h5-9H2,1-4H3/b11-10+
InChIKeyUWDVATIAHOYWTA-ZHACJKMWSA-N
MW302.27 g/mol
LogP4.93
Rot. Bonds8

About (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene

(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene (PubChem CID 10470157) has the molecular formula C12H22F3O3P and a molecular weight of 302.27 g/mol. Its IUPAC name is (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene.

Molecular Properties

Compound Name(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
PubChem CID10470157
Molecular FormulaC12H22F3O3P
Molecular Weight302.27 g/mol
Exact Mass302.13
IUPAC Name(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
SMILESCCC/C(C)=C(\CP(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C12H22F3O3P/c1-5-8-10(4)11(12(13,14)15)9-19(16,17-6-2)18-7-3/h5-9H2,1-4H3/b11-10+
InChIKeyUWDVATIAHOYWTA-ZHACJKMWSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-diethoxyphosphoryl-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pent-2-ene
CID 12152410
4-Diethoxyphosphoryl-1,1,1,3,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 12152411
1-Butyl-2-diethoxyphosphoryl-3,3,4,4,5,5-hexafluorocyclopentene
CID 276076
(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
[3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
CID 10404207
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(E)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921763
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-2-ene
CID 134894993
(Z)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 9996716
2-(Diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylbut-2-ene
CID 10265338

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene?
The IUPAC name of (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene (CID 10470157) is (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene.
What is the SMILES notation for (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene?
The canonical SMILES for (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene is CCC/C(C)=C(\CP(=O)(OCC)OCC)C(F)(F)F.
What is the InChIKey of (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene?
The InChIKey is UWDVATIAHOYWTA-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22F3O3P/c1-5-8-10(4)11(12(13,14)15)9-19(16,17-6-2)18-7-3/h5-9H2,1-4H3/b11-10+.
What are the key properties of (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene?
(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene has a molecular weight of 302.27 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene is sourced from PubChem (CID 10470157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).