[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane

C12H21FP2 — CID 170213454

IUPAC[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane
SMILESC=C/C(F)=C\C(P)=C/CCCPC(C)C
InChIInChI=1S/C12H21FP2/c1-4-11(13)9-12(14)7-5-6-8-15-10(2)3/h4,7,9-10,15H,1,5-6,8,14H2,2-3H3/b11-9+,12-7+
InChIKeyWTFGUWKQOOHDPA-DMXQEXBGSA-N
MW246.25 g/mol
LogP4.65
Rot. Bonds7

About [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane

[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane (PubChem CID 170213454) has the molecular formula C12H21FP2 and a molecular weight of 246.25 g/mol. Its IUPAC name is [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane.

Molecular Properties

Compound Name[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane
PubChem CID170213454
Molecular FormulaC12H21FP2
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane
SMILESC=C/C(F)=C\C(P)=C/CCCPC(C)C
InChIInChI=1S/C12H21FP2/c1-4-11(13)9-12(14)7-5-6-8-15-10(2)3/h4,7,9-10,15H,1,5-6,8,14H2,2-3H3/b11-9+,12-7+
InChIKeyWTFGUWKQOOHDPA-DMXQEXBGSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
CID 143772459
5-fluorohepta-4,6-dien-2-ol
CID 123543230
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(2E)-3-fluoro-N,N-dimethylpenta-2,4-dien-1-amine
CID 169181661
[(3E)-hexa-1,3-dien-3-yl]phosphane
CID 142203829
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
2-fluorooct-2-enal
CID 130783642
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 143572818
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445

Frequently Asked Questions

What is the IUPAC name of [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane?
The IUPAC name of [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane (CID 170213454) is [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane.
What is the SMILES notation for [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane?
The canonical SMILES for [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane is C=C/C(F)=C\C(P)=C/CCCPC(C)C.
What is the InChIKey of [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane?
The InChIKey is WTFGUWKQOOHDPA-DMXQEXBGSA-N. The full InChI is InChI=1S/C12H21FP2/c1-4-11(13)9-12(14)7-5-6-8-15-10(2)3/h4,7,9-10,15H,1,5-6,8,14H2,2-3H3/b11-9+,12-7+.
What are the key properties of [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane?
[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane has a molecular weight of 246.25 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane is sourced from PubChem (CID 170213454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).