1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine

C4H4F6N2 — CID 169085392

IUPAC1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine
SMILESNC(F)=C(N)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6N2/c5-2(12)1(11)3(6,7)4(8,9)10/h11-12H2
InChIKeyPLXLSTPOFFMFIR-UHFFFAOYSA-N
MW194.08 g/mol
LogP1.24
Rot. Bonds1

About 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine

1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine (PubChem CID 169085392) has the molecular formula C4H4F6N2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine.

Molecular Properties

Compound Name1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine
PubChem CID169085392
Molecular FormulaC4H4F6N2
Molecular Weight194.08 g/mol
Exact Mass194.03
IUPAC Name1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine
SMILESNC(F)=C(N)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6N2/c5-2(12)1(11)3(6,7)4(8,9)10/h11-12H2
InChIKeyPLXLSTPOFFMFIR-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3,4,4,4-heptafluorobut-1-ene
CID 158100137
1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
CID 162536579
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081
(Z)-2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)but-2-enedinitrile
CID 5366002
(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
CID 177383651
(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one
CID 117063906
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
(5E,15E)-5,16-diamino-1,1,1,2,2,3,3,4,4,6,15,17,17,18,18,19,19,20,20,20-icosafluoroicosa-5,15-diene-7,14-dione
CID 11204761
1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene
CID 171612885
(E)-1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 57455083
1,1,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pent-1-ene
CID 11311586

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine?
The IUPAC name of 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine (CID 169085392) is 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine.
What is the SMILES notation for 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine?
The canonical SMILES for 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine is NC(F)=C(N)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine?
The InChIKey is PLXLSTPOFFMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6N2/c5-2(12)1(11)3(6,7)4(8,9)10/h11-12H2.
What are the key properties of 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine?
1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine has a molecular weight of 194.08 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,4-hexafluorobut-1-ene-1,2-diamine is sourced from PubChem (CID 169085392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).