tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride

C17H44FN — CID 157487253

IUPACtris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride
SMILESC.C.C/C=C\C.C/C=C\C.C/C=C\C.CCNC.F.[H][2H]
InChIInChI=1S/3C4H8.C3H9N.2CH4.FH.H2/c4*1-3-4-2;;;;/h3*3-4H,1-2H3;4H,3H2,1-2H3;2*1H4;2*1H/b3*4-3-;;;;;/i;;;;;;;1+1
InChIKeyBWVZSUQVXVWVDU-WHNQDDASSA-N
MW282.55 g/mol
LogP6.64
Rot. Bonds1

About tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride

tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride (PubChem CID 157487253) has the molecular formula C17H44FN and a molecular weight of 282.55 g/mol. Its IUPAC name is tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride.

Molecular Properties

Compound Nametris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride
PubChem CID157487253
Molecular FormulaC17H44FN
Molecular Weight282.55 g/mol
Exact Mass282.35
IUPAC Nametris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride
SMILESC.C.C/C=C\C.C/C=C\C.C/C=C\C.CCNC.F.[H][2H]
InChIInChI=1S/3C4H8.C3H9N.2CH4.FH.H2/c4*1-3-4-2;;;;/h3*3-4H,1-2H3;4H,3H2,1-2H3;2*1H4;2*1H/b3*4-3-;;;;;/i;;;;;;;1+1
InChIKeyBWVZSUQVXVWVDU-WHNQDDASSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.55
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;N-methylethanamine
CID 171622053
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256
ethane;methanamine;methane;N-methylethanamine
CID 161245277
butane;but-2-ene;methane
CID 161391432
bis(N-methylethanamine);molybdenum;hydrate
CID 175328548
but-2-ene;hydrofluoride
CID 160556119
dichloromethane;N-methylethanamine
CID 158105373
ethane;methoxymethane;N-methylethanamine
CID 143795990
N,N-dimethylethanamine;N-methylethanamine
CID 143334981
methanimidamide;N-methylethanamine
CID 157328600
CID 161411385
CID 161411385

Frequently Asked Questions

What is the IUPAC name of tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride?
The IUPAC name of tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride (CID 157487253) is tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride.
What is the SMILES notation for tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride?
The canonical SMILES for tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride is C.C.C/C=C\C.C/C=C\C.C/C=C\C.CCNC.F.[H][2H].
What is the InChIKey of tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride?
The InChIKey is BWVZSUQVXVWVDU-WHNQDDASSA-N. The full InChI is InChI=1S/3C4H8.C3H9N.2CH4.FH.H2/c4*1-3-4-2;;;;/h3*3-4H,1-2H3;4H,3H2,1-2H3;2*1H4;2*1H/b3*4-3-;;;;;/i;;;;;;;1+1.
What are the key properties of tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride?
tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride has a molecular weight of 282.55 g/mol, XLogP of 6.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-but-2-ene);deuterium monohydride;methane;N-methylethanamine;hydrofluoride is sourced from PubChem (CID 157487253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).