[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane

C14H20F10NOP — CID 145366164

IUPAC[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(P)C(N1CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H20F10NOP/c15-9(13(19,20)21)11(16,17)7-26-8-12(18,27)10(14(22,23)24)25-5-3-1-2-4-6-25/h9-10H,1-8,27H2
InChIKeyZISNHJXHMXIAJC-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.89
Rot. Bonds7

About [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane

[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane (PubChem CID 145366164) has the molecular formula C14H20F10NOP and a molecular weight of 439.27 g/mol. Its IUPAC name is [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane.

Molecular Properties

Compound Name[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane
PubChem CID145366164
Molecular FormulaC14H20F10NOP
Molecular Weight439.27 g/mol
Exact Mass439.11
IUPAC Name[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(P)C(N1CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H20F10NOP/c15-9(13(19,20)21)11(16,17)7-26-8-12(18,27)10(14(22,23)24)25-5-3-1-2-4-6-25/h9-10H,1-8,27H2
InChIKeyZISNHJXHMXIAJC-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane?
The IUPAC name of [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane (CID 145366164) is [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane.
What is the SMILES notation for [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane?
The canonical SMILES for [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane is FC(C(F)(F)F)C(F)(F)COCC(F)(P)C(N1CCCCCC1)C(F)(F)F.
What is the InChIKey of [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane?
The InChIKey is ZISNHJXHMXIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F10NOP/c15-9(13(19,20)21)11(16,17)7-26-8-12(18,27)10(14(22,23)24)25-5-3-1-2-4-6-25/h9-10H,1-8,27H2.
What are the key properties of [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane?
[3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane has a molecular weight of 439.27 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-2,4,4,4-tetrafluoro-1-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]phosphane is sourced from PubChem (CID 145366164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).