methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium

C6H11F3N+ — CID 163824018

IUPACmethyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium
SMILESC[NH2+]C(C)=C(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3/p+1
InChIKeyNXVSZURTIKFQOG-UHFFFAOYSA-O
MW154.16 g/mol
LogP1.04
Rot. Bonds1

About methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium

methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium (PubChem CID 163824018) has the molecular formula C6H11F3N+ and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium.

Molecular Properties

Compound Namemethyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium
PubChem CID163824018
Molecular FormulaC6H11F3N+
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Namemethyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium
SMILESC[NH2+]C(C)=C(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3/p+1
InChIKeyNXVSZURTIKFQOG-UHFFFAOYSA-O
XLogP1.04
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-N-methylprop-1-en-2-amine
CID 132032621
(Z)-1,1,1-trifluoro-3-N-methylbut-2-ene-2,3-diamine
CID 146185975
(Z)-N-(bromomethyl)-4,4,4-trifluoro-3-methylbut-2-en-2-amine
CID 170145424
4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine
CID 163824019
N,3-dimethylbut-2-en-2-amine
CID 22393525

Frequently Asked Questions

What is the IUPAC name of methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium?
The IUPAC name of methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium (CID 163824018) is methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium.
What is the SMILES notation for methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium?
The canonical SMILES for methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium is C[NH2+]C(C)=C(C)C(F)(F)F.
What is the InChIKey of methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium?
The InChIKey is NXVSZURTIKFQOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3/p+1.
What are the key properties of methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium?
methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium has a molecular weight of 154.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4,4,4-trifluoro-3-methylbut-2-en-2-yl)azanium is sourced from PubChem (CID 163824018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).