trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide

C6H11F3IN — CID 10945865

IUPACtrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide
SMILESC[N+](C)(C)/C=C(\F)C(F)F.[I-]
InChIInChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1/b5-4-;
InChIKeyRSBNWDPLRTVKRZ-MKWAYWHRSA-M
MW281.06 g/mol
LogP-1.23
Rot. Bonds2

About trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide

trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide (PubChem CID 10945865) has the molecular formula C6H11F3IN and a molecular weight of 281.06 g/mol. Its IUPAC name is trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide
PubChem CID10945865
Molecular FormulaC6H11F3IN
Molecular Weight281.06 g/mol
Exact Mass280.99
IUPAC Nametrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide
SMILESC[N+](C)(C)/C=C(\F)C(F)F.[I-]
InChIInChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1/b5-4-;
InChIKeyRSBNWDPLRTVKRZ-MKWAYWHRSA-M
XLogP-1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide?
The IUPAC name of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide (CID 10945865) is trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide.
What is the SMILES notation for trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide?
The canonical SMILES for trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide is C[N+](C)(C)/C=C(\F)C(F)F.[I-].
What is the InChIKey of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide?
The InChIKey is RSBNWDPLRTVKRZ-MKWAYWHRSA-M. The full InChI is InChI=1S/C6H11F3N.HI/c1-10(2,3)4-5(7)6(8)9;/h4,6H,1-3H3;1H/q+1;/p-1/b5-4-;.
What are the key properties of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide?
trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide has a molecular weight of 281.06 g/mol, XLogP of -1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium iodide is sourced from PubChem (CID 10945865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).