N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine

C4ClF10N — CID 23236265

IUPACN-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine
SMILESFN(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF10N/c5-1(6,7)3(11,12)16(15)4(13,14)2(8,9)10
InChIKeyXAYHHZGPWSQSQY-UHFFFAOYSA-N
MW287.48 g/mol
LogP3.75
Rot. Bonds3

About N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine

N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine (PubChem CID 23236265) has the molecular formula C4ClF10N and a molecular weight of 287.48 g/mol. Its IUPAC name is N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine.

Molecular Properties

Compound NameN-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine
PubChem CID23236265
Molecular FormulaC4ClF10N
Molecular Weight287.48 g/mol
Exact Mass286.96
IUPAC NameN-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine
SMILESFN(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C4ClF10N/c5-1(6,7)3(11,12)16(15)4(13,14)2(8,9)10
InChIKeyXAYHHZGPWSQSQY-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine?
The IUPAC name of N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine (CID 23236265) is N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine.
What is the SMILES notation for N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine?
The canonical SMILES for N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine is FN(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine?
The InChIKey is XAYHHZGPWSQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF10N/c5-1(6,7)3(11,12)16(15)4(13,14)2(8,9)10.
What are the key properties of N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine?
N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine has a molecular weight of 287.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1,1,2,2-tetrafluoroethyl)-N,1,1,2,2,2-hexafluoroethanamine is sourced from PubChem (CID 23236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).