1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine

C8H8F10N2 — CID 130277887

IUPAC1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
SMILESC=C(C)NCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10N2/c1-4(2)19-3-5(9,10)6(11,12)20(7(13,14)15)8(16,17)18/h19H,1,3H2,2H3
InChIKeyALEAXXVSIOZVTJ-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.68
Rot. Bonds5

About 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine

1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine (PubChem CID 130277887) has the molecular formula C8H8F10N2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
PubChem CID130277887
Molecular FormulaC8H8F10N2
Molecular Weight322.15 g/mol
Exact Mass322.05
IUPAC Name1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
SMILESC=C(C)NCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10N2/c1-4(2)19-3-5(9,10)6(11,12)20(7(13,14)15)8(16,17)18/h19H,1,3H2,2H3
InChIKeyALEAXXVSIOZVTJ-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine (CID 130277887) is 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine is C=C(C)NCC(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine?
The InChIKey is ALEAXXVSIOZVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10N2/c1-4(2)19-3-5(9,10)6(11,12)20(7(13,14)15)8(16,17)18/h19H,1,3H2,2H3.
What are the key properties of 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine?
1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine has a molecular weight of 322.15 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 130277887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).