2,2,3,3-tetrafluorobutane-1,4-diamine

C4H8F4N2 — CID 3080548

IUPAC2,2,3,3-tetrafluorobutane-1,4-diamine
SMILESNCC(F)(F)C(F)(F)CN
InChIInChI=1S/C4H8F4N2/c5-3(6,1-9)4(7,8)2-10/h1-2,9-10H2
InChIKeyAOBBDXYJJKBZJY-UHFFFAOYSA-N
MW160.11 g/mol
LogP0.17
Rot. Bonds3

About 2,2,3,3-tetrafluorobutane-1,4-diamine

2,2,3,3-tetrafluorobutane-1,4-diamine (PubChem CID 3080548) has the molecular formula C4H8F4N2 and a molecular weight of 160.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorobutane-1,4-diamine.

Molecular Properties

Compound Name2,2,3,3-tetrafluorobutane-1,4-diamine
PubChem CID3080548
Molecular FormulaC4H8F4N2
Molecular Weight160.11 g/mol
Exact Mass160.06
IUPAC Name2,2,3,3-tetrafluorobutane-1,4-diamine
SMILESNCC(F)(F)C(F)(F)CN
InChIInChI=1S/C4H8F4N2/c5-3(6,1-9)4(7,8)2-10/h1-2,9-10H2
InChIKeyAOBBDXYJJKBZJY-UHFFFAOYSA-N
XLogP0.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorobutane-1,4-diamine?
The IUPAC name of 2,2,3,3-tetrafluorobutane-1,4-diamine (CID 3080548) is 2,2,3,3-tetrafluorobutane-1,4-diamine.
What is the SMILES notation for 2,2,3,3-tetrafluorobutane-1,4-diamine?
The canonical SMILES for 2,2,3,3-tetrafluorobutane-1,4-diamine is NCC(F)(F)C(F)(F)CN.
What is the InChIKey of 2,2,3,3-tetrafluorobutane-1,4-diamine?
The InChIKey is AOBBDXYJJKBZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F4N2/c5-3(6,1-9)4(7,8)2-10/h1-2,9-10H2.
What are the key properties of 2,2,3,3-tetrafluorobutane-1,4-diamine?
2,2,3,3-tetrafluorobutane-1,4-diamine has a molecular weight of 160.11 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorobutane-1,4-diamine is sourced from PubChem (CID 3080548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).