ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane

C11H16F3O2P — CID 171093017

IUPACethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
SMILESCCOP(CC1=CC=C(C(F)(F)F)CC1)OC
InChIInChI=1S/C11H16F3O2P/c1-3-16-17(15-2)8-9-4-6-10(7-5-9)11(12,13)14/h4,6H,3,5,7-8H2,1-2H3
InChIKeyGYZZNTQOXFIBJW-UHFFFAOYSA-N
MW268.21 g/mol
LogP4.19
Rot. Bonds5

About ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane

ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane (PubChem CID 171093017) has the molecular formula C11H16F3O2P and a molecular weight of 268.21 g/mol. Its IUPAC name is ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane.

Molecular Properties

Compound Nameethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
PubChem CID171093017
Molecular FormulaC11H16F3O2P
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Nameethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
SMILESCCOP(CC1=CC=C(C(F)(F)F)CC1)OC
InChIInChI=1S/C11H16F3O2P/c1-3-16-17(15-2)8-9-4-6-10(7-5-9)11(12,13)14/h4,6H,3,5,7-8H2,1-2H3
InChIKeyGYZZNTQOXFIBJW-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
Diethoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane
CID 171093068
1-[Diethoxyphosphoryl(difluoro)methyl]cyclopentene
CID 15418135
6-Diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
CID 23236893
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclohexene
CID 162536384
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
CID 162536390
[(E)-2-(cyclohexen-1-yl)ethenyl]-diethoxyphosphane
CID 141828112

Frequently Asked Questions

What is the IUPAC name of ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane?
The IUPAC name of ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane (CID 171093017) is ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane.
What is the SMILES notation for ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane?
The canonical SMILES for ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane is CCOP(CC1=CC=C(C(F)(F)F)CC1)OC.
What is the InChIKey of ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane?
The InChIKey is GYZZNTQOXFIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3O2P/c1-3-16-17(15-2)8-9-4-6-10(7-5-9)11(12,13)14/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane?
ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane has a molecular weight of 268.21 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methoxy-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]phosphane is sourced from PubChem (CID 171093017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).