methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium

C8H14F3NO — CID 155624937

IUPACmethanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
SMILES[CH2-][NH2+]C(C1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7H,1-5,12H2
InChIKeyBAOKTVRYSZQXIT-UHFFFAOYSA-N
MW197.20 g/mol
LogP0.84
Rot. Bonds2

About methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium

methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium (PubChem CID 155624937) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
PubChem CID155624937
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Namemethanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
SMILES[CH2-][NH2+]C(C1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7H,1-5,12H2
InChIKeyBAOKTVRYSZQXIT-UHFFFAOYSA-N
XLogP0.84
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium?
The IUPAC name of methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium (CID 155624937) is methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium.
What is the SMILES notation for methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium?
The canonical SMILES for methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium is [CH2-][NH2+]C(C1CCCCO1)C(F)(F)F.
What is the InChIKey of methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium?
The InChIKey is BAOKTVRYSZQXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7H,1-5,12H2.
What are the key properties of methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium?
methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium has a molecular weight of 197.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium is sourced from PubChem (CID 155624937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).