trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium

C7H13F3N+ — CID 135270741

IUPACtrimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium
SMILESC[N+](C)(C)C/C=C(\F)C(F)F
InChIInChI=1S/C7H13F3N/c1-11(2,3)5-4-6(8)7(9)10/h4,7H,5H2,1-3H3/q+1/b6-4-
InChIKeyHAYBAFBCMBQPJX-XQRVVYSFSA-N
MW168.18 g/mol
LogP1.81
Rot. Bonds3

About trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium

trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium (PubChem CID 135270741) has the molecular formula C7H13F3N+ and a molecular weight of 168.18 g/mol. Its IUPAC name is trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium
PubChem CID135270741
Molecular FormulaC7H13F3N+
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Nametrimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium
SMILESC[N+](C)(C)C/C=C(\F)C(F)F
InChIInChI=1S/C7H13F3N/c1-11(2,3)5-4-6(8)7(9)10/h4,7H,5H2,1-3H3/q+1/b6-4-
InChIKeyHAYBAFBCMBQPJX-XQRVVYSFSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.81
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

N-(3,3-difluoroallyl)-diethylamine
CID 129878552
N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 58019336
N-ethyl-3,3-difluoro-N-methylprop-2-en-1-amine
CID 59155105
N-prop-2-enyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 88598252
3-Fluoro-1-methyl-2,5-dihydropyrrole
CID 90903503
1,1-difluoro-N,N-dimethylprop-2-en-1-amine
CID 121361161
1,2-difluoro-N,N-dimethylprop-2-en-1-amine
CID 129207811
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
CID 130670085
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(2,2-Difluoroethyl)-2,5-dihydropyrrole
CID 139880316
(E)-2-fluoro-N,N-dimethylbut-2-en-1-amine
CID 142802251
(Z)-2,3-difluoro-N,N-dimethylbut-2-en-1-amine
CID 142984205

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium?
The IUPAC name of trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium (CID 135270741) is trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium.
What is the SMILES notation for trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium?
The canonical SMILES for trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium is C[N+](C)(C)C/C=C(\F)C(F)F.
What is the InChIKey of trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium?
The InChIKey is HAYBAFBCMBQPJX-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13F3N/c1-11(2,3)5-4-6(8)7(9)10/h4,7H,5H2,1-3H3/q+1/b6-4-.
What are the key properties of trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium?
trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium has a molecular weight of 168.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium is sourced from PubChem (CID 135270741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).