trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride

C7H10ClF8P — CID 87697367

IUPACtrimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
SMILESC[P+](C)(C)C(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-]
InChIInChI=1S/C7H10F8P.ClH/c1-16(2,3)4(8)5(9,10)6(11,12)7(13,14)15;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyRJIYSMVRBAIBLJ-UHFFFAOYSA-M
MW312.57 g/mol
LogP1.03
Rot. Bonds3

About trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride

trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride (PubChem CID 87697367) has the molecular formula C7H10ClF8P and a molecular weight of 312.57 g/mol. Its IUPAC name is trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride.

Molecular Properties

Compound Nametrimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
PubChem CID87697367
Molecular FormulaC7H10ClF8P
Molecular Weight312.57 g/mol
Exact Mass312.01
IUPAC Nametrimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
SMILESC[P+](C)(C)C(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-]
InChIInChI=1S/C7H10F8P.ClH/c1-16(2,3)4(8)5(9,10)6(11,12)7(13,14)15;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyRJIYSMVRBAIBLJ-UHFFFAOYSA-M
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
3,3,4,4,5,5,5-heptafluoro-2-methylpentanal
CID 86162788
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
CID 18916016
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 88645116
1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)-3-[1,1,1,2,2,4-hexafluoro-3-(1-fluoroethyl)pentan-3-yl]oxypentane
CID 121250084
1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-hexadecafluorooctane
CID 21256020
bis(3,3,4,4,5,5,5-heptafluoropentan-2-yl) carbonate
CID 87652814
1,1,1,2,2,3,3,5,6,9,10-undecafluoroundecan-4-amine
CID 87970777
1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
CID 91394956
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
CID 175326600

Frequently Asked Questions

What is the IUPAC name of trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride?
The IUPAC name of trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride (CID 87697367) is trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride.
What is the SMILES notation for trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride?
The canonical SMILES for trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride is C[P+](C)(C)C(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].
What is the InChIKey of trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride?
The InChIKey is RJIYSMVRBAIBLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10F8P.ClH/c1-16(2,3)4(8)5(9,10)6(11,12)7(13,14)15;/h4H,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride?
trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride has a molecular weight of 312.57 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride is sourced from PubChem (CID 87697367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).