3-(trifluoromethyl)hept-1-enyl phosphate

C8H12F3O4P-2 — CID 154268729

IUPAC3-(trifluoromethyl)hept-1-enyl phosphate
SMILESCCCCC(C=COP(=O)([O-])[O-])C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-2-3-4-7(8(9,10)11)5-6-15-16(12,13)14/h5-7H,2-4H2,1H3,(H2,12,13,14)/p-2
InChIKeyGCOSPWSGRXTTLK-UHFFFAOYSA-L
MW260.15 g/mol
LogP1.71
Rot. Bonds6

About 3-(trifluoromethyl)hept-1-enyl phosphate

3-(trifluoromethyl)hept-1-enyl phosphate (PubChem CID 154268729) has the molecular formula C8H12F3O4P-2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)hept-1-enyl phosphate.

Molecular Properties

Compound Name3-(trifluoromethyl)hept-1-enyl phosphate
PubChem CID154268729
Molecular FormulaC8H12F3O4P-2
Molecular Weight260.15 g/mol
Exact Mass260.04
IUPAC Name3-(trifluoromethyl)hept-1-enyl phosphate
SMILESCCCCC(C=COP(=O)([O-])[O-])C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-2-3-4-7(8(9,10)11)5-6-15-16(12,13)14/h5-7H,2-4H2,1H3,(H2,12,13,14)/p-2
InChIKeyGCOSPWSGRXTTLK-UHFFFAOYSA-L
XLogP1.71
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-6-(trifluoromethyl)dec-4-ene
CID 101032787
1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
CID 141171044
2-(trifluoromethyl)nonanal
CID 85157454
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium
CID 87669230
[(E)-5-(trifluoromethyl)non-3-enoxy]methylbenzene
CID 15311806
[(E,1S)-1-(methoxymethoxy)-4-(trifluoromethyl)oct-2-enyl]benzene
CID 102104350
disodium;2-propylhexyl phosphate
CID 153363799
dihexan-2-yl phosphate;zinc
CID 140567710
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)hept-1-enyl phosphate?
The IUPAC name of 3-(trifluoromethyl)hept-1-enyl phosphate (CID 154268729) is 3-(trifluoromethyl)hept-1-enyl phosphate.
What is the SMILES notation for 3-(trifluoromethyl)hept-1-enyl phosphate?
The canonical SMILES for 3-(trifluoromethyl)hept-1-enyl phosphate is CCCCC(C=COP(=O)([O-])[O-])C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)hept-1-enyl phosphate?
The InChIKey is GCOSPWSGRXTTLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H14F3O4P/c1-2-3-4-7(8(9,10)11)5-6-15-16(12,13)14/h5-7H,2-4H2,1H3,(H2,12,13,14)/p-2.
What are the key properties of 3-(trifluoromethyl)hept-1-enyl phosphate?
3-(trifluoromethyl)hept-1-enyl phosphate has a molecular weight of 260.15 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)hept-1-enyl phosphate is sourced from PubChem (CID 154268729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).