[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane

C16H27F2P — CID 143948641

IUPAC[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane
SMILESC/C=C\C(=C/C(F)=C/F)C(CC(C)(C)P)C(C)(C)C
InChIInChI=1S/C16H27F2P/c1-7-8-12(9-13(18)11-17)14(15(2,3)4)10-16(5,6)19/h7-9,11,14H,10,19H2,1-6H3/b8-7-,12-9+,13-11-
InChIKeyIFQGPDNOGRZCPB-UOVRLWSVSA-N
MW288.36 g/mol
LogP5.98
Rot. Bonds5

About [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane

[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane (PubChem CID 143948641) has the molecular formula C16H27F2P and a molecular weight of 288.36 g/mol. Its IUPAC name is [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane.

Molecular Properties

Compound Name[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane
PubChem CID143948641
Molecular FormulaC16H27F2P
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane
SMILESC/C=C\C(=C/C(F)=C/F)C(CC(C)(C)P)C(C)(C)C
InChIInChI=1S/C16H27F2P/c1-7-8-12(9-13(18)11-17)14(15(2,3)4)10-16(5,6)19/h7-9,11,14H,10,19H2,1-6H3/b8-7-,12-9+,13-11-
InChIKeyIFQGPDNOGRZCPB-UOVRLWSVSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.36
LogP ≤ 55.98
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

1,2,6-trifluoro-4-propan-2-ylhexa-1,3,5-triene
CID 123946471
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(2Z,4E,6Z)-4-(1-ethylsulfanyl-3,3-dimethylbutan-2-yl)octa-2,4,6-triene
CID 167166920
[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane
CID 123933060
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
(2Z,4E)-4-(3,3-dimethylbutan-2-yl)-7-methylsulfanylhepta-2,4-diene
CID 143682674
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
3-[ethoxy(methoxy)methyl]hexa-2,4-diene
CID 173460138
(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 143080531
6-tert-butyl-5-ethenyl-2-methoxy-3,8,8-trimethylnona-2,4-diene
CID 123438047

Frequently Asked Questions

What is the IUPAC name of [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane?
The IUPAC name of [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane (CID 143948641) is [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane.
What is the SMILES notation for [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane?
The canonical SMILES for [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane is C/C=C\C(=C/C(F)=C/F)C(CC(C)(C)P)C(C)(C)C.
What is the InChIKey of [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane?
The InChIKey is IFQGPDNOGRZCPB-UOVRLWSVSA-N. The full InChI is InChI=1S/C16H27F2P/c1-7-8-12(9-13(18)11-17)14(15(2,3)4)10-16(5,6)19/h7-9,11,14H,10,19H2,1-6H3/b8-7-,12-9+,13-11-.
What are the key properties of [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane?
[(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane has a molecular weight of 288.36 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,7Z)-4-tert-butyl-7,8-difluoro-2-methyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-yl]phosphane is sourced from PubChem (CID 143948641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).