N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine

C7H5BrF9N — CID 86142982

IUPACN-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine
SMILESFC(=C(NCCBr)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5BrF9N/c8-1-2-18-4(6(12,13)14)3(9)5(10,11)7(15,16)17/h18H,1-2H2
InChIKeyGHHHVYHBFBLONE-UHFFFAOYSA-N
MW354.01 g/mol
LogP3.91
Rot. Bonds4

About N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine

N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine (PubChem CID 86142982) has the molecular formula C7H5BrF9N and a molecular weight of 354.01 g/mol. Its IUPAC name is N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine
PubChem CID86142982
Molecular FormulaC7H5BrF9N
Molecular Weight354.01 g/mol
Exact Mass352.95
IUPAC NameN-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine
SMILESFC(=C(NCCBr)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5BrF9N/c8-1-2-18-4(6(12,13)14)3(9)5(10,11)7(15,16)17/h18H,1-2H2
InChIKeyGHHHVYHBFBLONE-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.01
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine?
The IUPAC name of N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine (CID 86142982) is N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine?
The canonical SMILES for N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine is FC(=C(NCCBr)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine?
The InChIKey is GHHHVYHBFBLONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF9N/c8-1-2-18-4(6(12,13)14)3(9)5(10,11)7(15,16)17/h18H,1-2H2.
What are the key properties of N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine?
N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine has a molecular weight of 354.01 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1,1,1,3,4,4,5,5,5-nonafluoropent-2-en-2-amine is sourced from PubChem (CID 86142982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).