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

C6H11F3N+ — CID 10945866

IUPACtrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium
SMILESC[N+](C)(C)/C=C(\F)C(F)F
InChIInChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1/b5-4-
InChIKeyVKDANIKFIOCGMH-PLNGDYQASA-N
MW154.16 g/mol
LogP1.77
Rot. Bonds2

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

trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium (PubChem CID 10945866) has the molecular formula C6H11F3N+ and a molecular weight of 154.16 g/mol. Its IUPAC name is trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium
PubChem CID10945866
Molecular FormulaC6H11F3N+
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Nametrimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium
SMILESC[N+](C)(C)/C=C(\F)C(F)F
InChIInChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1/b5-4-
InChIKeyVKDANIKFIOCGMH-PLNGDYQASA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3,3-trifluoroprop-1-en-1-ol
CID 88605986
1,1,2,4,4-pentafluorobut-2-ene
CID 161312912
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
(Z)-3-fluoropent-3-en-2-ol
CID 152906819
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
CID 161214870
3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
chloromethane;1,1,3,3-tetrafluoroprop-1-ene
CID 174584065
(E)-2,3,4,4-tetrafluorobut-2-enal
CID 174819569
(E)-1,1,3,4,4-pentafluorobut-2-en-2-ol
CID 90476807
1,2,3,3-tetrafluoro-1-iodoprop-1-ene
CID 175825557
1,2,3,4,5,5-hexafluoropenta-1,3-diene
CID 154049218
difluoromethyl(trimethyl)azanium chloride
CID 13440985

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium?
The IUPAC name of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium (CID 10945866) is trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium.
What is the SMILES notation for trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium?
The canonical SMILES for trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium is C[N+](C)(C)/C=C(\F)C(F)F.
What is the InChIKey of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium?
The InChIKey is VKDANIKFIOCGMH-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11F3N/c1-10(2,3)4-5(7)6(8)9/h4,6H,1-3H3/q+1/b5-4-.
What are the key properties of trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium?
trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium has a molecular weight of 154.16 g/mol, XLogP of 1.77, 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 is sourced from PubChem (CID 10945866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).