methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium

C5H2F6N+ — CID 22964140

IUPACmethylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium
SMILESC#[N+]C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h1-2H/q+1
InChIKeyJHCXBPDNWHKEOX-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.96
Rot. Bonds

About methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium

methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium (PubChem CID 22964140) has the molecular formula C5H2F6N+ and a molecular weight of 190.07 g/mol. Its IUPAC name is methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium.

Molecular Properties

Compound Namemethylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium
PubChem CID22964140
Molecular FormulaC5H2F6N+
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Namemethylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium
SMILESC#[N+]C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h1-2H/q+1
InChIKeyJHCXBPDNWHKEOX-UHFFFAOYSA-N
XLogP2.96
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium?
The IUPAC name of methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium (CID 22964140) is methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium.
What is the SMILES notation for methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium?
The canonical SMILES for methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium is C#[N+]C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium?
The InChIKey is JHCXBPDNWHKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h1-2H/q+1.
What are the key properties of methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium?
methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium has a molecular weight of 190.07 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium is sourced from PubChem (CID 22964140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).