1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium

C12H15F5P+ — CID 22348710

IUPAC1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium
SMILESFCCCCCC(F)[PH2+]c1cc(F)cc(F)c1F
InChIInChI=1S/C12H14F5P/c13-5-3-1-2-4-11(16)18-10-7-8(14)6-9(15)12(10)17/h6-7,11,18H,1-5H2/p+1
InChIKeyIBRVCSREHOKBMW-UHFFFAOYSA-O
MW285.22 g/mol
LogP3.97
Rot. Bonds7

About 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium

1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium (PubChem CID 22348710) has the molecular formula C12H15F5P+ and a molecular weight of 285.22 g/mol. Its IUPAC name is 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium.

Molecular Properties

Compound Name1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium
PubChem CID22348710
Molecular FormulaC12H15F5P+
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium
SMILESFCCCCCC(F)[PH2+]c1cc(F)cc(F)c1F
InChIInChI=1S/C12H14F5P/c13-5-3-1-2-4-11(16)18-10-7-8(14)6-9(15)12(10)17/h6-7,11,18H,1-5H2/p+1
InChIKeyIBRVCSREHOKBMW-UHFFFAOYSA-O
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
CID 90872484
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131336328
1,8-difluorononane
CID 168864691
1,6-difluoroheptane
CID 139983024
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium?
The IUPAC name of 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium (CID 22348710) is 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium.
What is the SMILES notation for 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium?
The canonical SMILES for 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium is FCCCCCC(F)[PH2+]c1cc(F)cc(F)c1F.
What is the InChIKey of 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium?
The InChIKey is IBRVCSREHOKBMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14F5P/c13-5-3-1-2-4-11(16)18-10-7-8(14)6-9(15)12(10)17/h6-7,11,18H,1-5H2/p+1.
What are the key properties of 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium?
1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium has a molecular weight of 285.22 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorohexyl-(2,3,5-trifluorophenyl)phosphanium is sourced from PubChem (CID 22348710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).