1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride

C9H20F6N2P- — CID 158364955

IUPAC1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
SMILESCCCCCN1CCN(C)C1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C9H20N2.F5P.FH/c1-3-4-5-6-11-8-7-10(2)9-11;1-6(2,3,4)5;/h3-9H2,1-2H3;;1H/p-1
InChIKeyGTXPALBRHLURHK-UHFFFAOYSA-M
MW301.24 g/mol
LogP1.35
Rot. Bonds4

About 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride

1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride (PubChem CID 158364955) has the molecular formula C9H20F6N2P- and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride.

Molecular Properties

Compound Name1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
PubChem CID158364955
Molecular FormulaC9H20F6N2P-
Molecular Weight301.24 g/mol
Exact Mass301.13
IUPAC Name1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
SMILESCCCCCN1CCN(C)C1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C9H20N2.F5P.FH/c1-3-4-5-6-11-8-7-10(2)9-11;1-6(2,3,4)5;/h3-9H2,1-2H3;;1H/p-1
InChIKeyGTXPALBRHLURHK-UHFFFAOYSA-M
XLogP1.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
CID 159576929
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
acetylene;1-methyl-4-octylpiperazine
CID 144712197
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
1-(6-ethoxyhexyl)-3-methylimidazolidine
CID 140684108
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
CID 160848959

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride?
The IUPAC name of 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride (CID 158364955) is 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride.
What is the SMILES notation for 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride?
The canonical SMILES for 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride is CCCCCN1CCN(C)C1.FP(F)(F)(F)F.[F-].
What is the InChIKey of 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride?
The InChIKey is GTXPALBRHLURHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N2.F5P.FH/c1-3-4-5-6-11-8-7-10(2)9-11;1-6(2,3,4)5;/h3-9H2,1-2H3;;1H/p-1.
What are the key properties of 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride?
1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride has a molecular weight of 301.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride is sourced from PubChem (CID 158364955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).