N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine

C8H10F5N — CID 162536592

IUPACN,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine
SMILESCCN(CC)C1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F5N/c1-3-14(4-2)6-5(9)7(10,11)8(6,12)13/h3-4H2,1-2H3
InChIKeyHFVFVURQZGSPHO-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.79
Rot. Bonds3

About N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine

N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine (PubChem CID 162536592) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine
PubChem CID162536592
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC NameN,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine
SMILESCCN(CC)C1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F5N/c1-3-14(4-2)6-5(9)7(10,11)8(6,12)13/h3-4H2,1-2H3
InChIKeyHFVFVURQZGSPHO-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2,4,4,5,5,5-hexafluoropent-2-en-3-yl]pyrrolidine
CID 153363768
1-[(E)-3,4,4,5,5,5-hexafluoropent-2-en-2-yl]pyrrolidine
CID 166661059
N,N-diethyl-1,1-difluorobut-1-en-2-amine
CID 15306689
N,N-diethyl-1,1-difluoropent-1-en-2-amine
CID 15306690
Triethyl-(2,3,3,4,4-pentafluorocyclobuten-1-yl)azanium
CID 21731358
2,3,3,4,4-pentafluoro-N,N-dimethylcyclobuten-1-amine
CID 23233714
1-(2,4,4,5,5,5-Hexafluoropent-2-en-3-yl)pyrrolidine
CID 160982575

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine?
The IUPAC name of N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine (CID 162536592) is N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine.
What is the SMILES notation for N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine?
The canonical SMILES for N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine is CCN(CC)C1=C(F)C(F)(F)C1(F)F.
What is the InChIKey of N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine?
The InChIKey is HFVFVURQZGSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N/c1-3-14(4-2)6-5(9)7(10,11)8(6,12)13/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine?
N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine has a molecular weight of 215.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,3,4,4-pentafluorocyclobuten-1-amine is sourced from PubChem (CID 162536592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).