[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane

C8H10F3P — CID 142032731

IUPAC[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
SMILESC=C/C(=C\C(=C)CP)C(F)(F)F
InChIInChI=1S/C8H10F3P/c1-3-7(8(9,10)11)4-6(2)5-12/h3-4H,1-2,5,12H2/b7-4+
InChIKeyIPTMWEUYLXEPCT-QPJJXVBHSA-N
MW194.14 g/mol
LogP3.09
Rot. Bonds3

About [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane

[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane (PubChem CID 142032731) has the molecular formula C8H10F3P and a molecular weight of 194.14 g/mol. Its IUPAC name is [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane.

Molecular Properties

Compound Name[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
PubChem CID142032731
Molecular FormulaC8H10F3P
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
SMILESC=C/C(=C\C(=C)CP)C(F)(F)F
InChIInChI=1S/C8H10F3P/c1-3-7(8(9,10)11)4-6(2)5-12/h3-4H,1-2,5,12H2/b7-4+
InChIKeyIPTMWEUYLXEPCT-QPJJXVBHSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E)-5-methylidene-3-(trifluoromethyl)octa-1,3-dien-6-yne
CID 144911780
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
but-2-yne;(3E)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]oxy-4-(trifluoromethyl)hexa-1,3,5-triene
CID 142206515
(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol
CID 143267835
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 142154552
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
2-(trifluoromethoxymethyl)buta-1,3-diene
CID 59097403

Frequently Asked Questions

What is the IUPAC name of [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane?
The IUPAC name of [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane (CID 142032731) is [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane.
What is the SMILES notation for [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane?
The canonical SMILES for [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane is C=C/C(=C\C(=C)CP)C(F)(F)F.
What is the InChIKey of [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane?
The InChIKey is IPTMWEUYLXEPCT-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H10F3P/c1-3-7(8(9,10)11)4-6(2)5-12/h3-4H,1-2,5,12H2/b7-4+.
What are the key properties of [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane?
[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane has a molecular weight of 194.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane is sourced from PubChem (CID 142032731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).