2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide

C10H16F4N2O2 — CID 2292957

IUPAC2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCC
InChIInChI=1S/C10H16F4N2O2/c1-3-5-15-7(17)9(11,12)10(13,14)8(18)16-6-4-2/h3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJMKVTDBBFZHMBV-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.31
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide

2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide (PubChem CID 2292957) has the molecular formula C10H16F4N2O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide
PubChem CID2292957
Molecular FormulaC10H16F4N2O2
Molecular Weight272.24 g/mol
Exact Mass272.11
IUPAC Name2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCC
InChIInChI=1S/C10H16F4N2O2/c1-3-5-15-7(17)9(11,12)10(13,14)8(18)16-6-4-2/h3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJMKVTDBBFZHMBV-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.31
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-tetrafluoro-N,N'-dipropylbutanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide (CID 2292957) is 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide is CCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCC.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide?
The InChIKey is JMKVTDBBFZHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O2/c1-3-5-15-7(17)9(11,12)10(13,14)8(18)16-6-4-2/h3-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide?
2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide has a molecular weight of 272.24 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide is sourced from PubChem (CID 2292957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).