(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten

C6H6F6NW- — CID 58019324

IUPAC(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten
SMILES[CH2-]/C=C/CN(C(F)(F)F)C(F)(F)F.[W]
InChIInChI=1S/C6H6F6N.W/c1-2-3-4-13(5(7,8)9)6(10,11)12;/h2-3H,1,4H2;/q-1;/b3-2+;
InChIKeyQFIGXJHEOUEEMF-SQQVDAMQSA-N
MW389.95 g/mol
LogP2.72
Rot. Bonds2

About (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten

(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten (PubChem CID 58019324) has the molecular formula C6H6F6NW- and a molecular weight of 389.95 g/mol. Its IUPAC name is (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten.

Molecular Properties

Compound Name(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten
PubChem CID58019324
Molecular FormulaC6H6F6NW-
Molecular Weight389.95 g/mol
Exact Mass389.99
IUPAC Name(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten
SMILES[CH2-]/C=C/CN(C(F)(F)F)C(F)(F)F.[W]
InChIInChI=1S/C6H6F6N.W/c1-2-3-4-13(5(7,8)9)6(10,11)12;/h2-3H,1,4H2;/q-1;/b3-2+;
InChIKeyQFIGXJHEOUEEMF-SQQVDAMQSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(trifluoromethyl)prop-2-en-1-amine
CID 57920871
(E)-N,N,N',N'-tetrakis(trifluoromethyl)but-2-ene-1,4-diamine
CID 12561596
N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine
CID 130376714
1-(Difluoromethyl)-2,5-dihydropyrrole
CID 139880335
N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 140552329
1-(Trifluoromethyl)-2,5-dihydropyrrole
CID 141473800
(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine
CID 142488202
(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine
CID 58019325
N,N,N',N'-tetrakis(trifluoromethyl)but-2-ene-1,4-diamine
CID 162538783

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten?
The IUPAC name of (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten (CID 58019324) is (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten.
What is the SMILES notation for (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten?
The canonical SMILES for (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten is [CH2-]/C=C/CN(C(F)(F)F)C(F)(F)F.[W].
What is the InChIKey of (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten?
The InChIKey is QFIGXJHEOUEEMF-SQQVDAMQSA-N. The full InChI is InChI=1S/C6H6F6N.W/c1-2-3-4-13(5(7,8)9)6(10,11)12;/h2-3H,1,4H2;/q-1;/b3-2+;.
What are the key properties of (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten?
(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten has a molecular weight of 389.95 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten is sourced from PubChem (CID 58019324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).