N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine

C10H10F5N — CID 101404764

IUPACN,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCN(C)CCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-16(2)4-3-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3
InChIKeyXMVPAHMCFSGEGH-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.49
Rot. Bonds3

About N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine

N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine (PubChem CID 101404764) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
PubChem CID101404764
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC NameN,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCN(C)CCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-16(2)4-3-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3
InChIKeyXMVPAHMCFSGEGH-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine (CID 101404764) is N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine is CN(C)CCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The InChIKey is XMVPAHMCFSGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-16(2)4-3-5-6(11)8(13)10(15)9(14)7(5)12/h3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine?
N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine has a molecular weight of 239.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine is sourced from PubChem (CID 101404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).