N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine

C7H2F12N2 — CID 135082059

IUPACN,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine
SMILESFC(F)(F)N(C=C=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12N2/c8-4(9,10)20(5(11,12)13)2-1-3-21(6(14,15)16)7(17,18)19/h2-3H
InChIKeyWOLGSNSNGCIDHH-UHFFFAOYSA-N
MW342.08 g/mol
LogP4.30
Rot. Bonds2

About N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine

N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine (PubChem CID 135082059) has the molecular formula C7H2F12N2 and a molecular weight of 342.08 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine
PubChem CID135082059
Molecular FormulaC7H2F12N2
Molecular Weight342.08 g/mol
Exact Mass342.00
IUPAC NameN,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine
SMILESFC(F)(F)N(C=C=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12N2/c8-4(9,10)20(5(11,12)13)2-1-3-21(6(14,15)16)7(17,18)19/h2-3H
InChIKeyWOLGSNSNGCIDHH-UHFFFAOYSA-N
XLogP4.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine?
The IUPAC name of N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine (CID 135082059) is N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine is FC(F)(F)N(C=C=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine?
The InChIKey is WOLGSNSNGCIDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12N2/c8-4(9,10)20(5(11,12)13)2-1-3-21(6(14,15)16)7(17,18)19/h2-3H.
What are the key properties of N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine?
N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine has a molecular weight of 342.08 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine is sourced from PubChem (CID 135082059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).