N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine

C11H13F5N2 — CID 112683482

IUPACN',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5N2/c1-18(2)4-3-17-5-6-7(12)9(14)11(16)10(15)8(6)13/h17H,3-5H2,1-2H3
InChIKeyLYCYBAUJMNJUJZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.03
Rot. Bonds5

About N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 112683482) has the molecular formula C11H13F5N2 and a molecular weight of 268.23 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
PubChem CID112683482
Molecular FormulaC11H13F5N2
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC NameN',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5N2/c1-18(2)4-3-17-5-6-7(12)9(14)11(16)10(15)8(6)13/h17H,3-5H2,1-2H3
InChIKeyLYCYBAUJMNJUJZ-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine (CID 112683482) is N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine is CN(C)CCNCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is LYCYBAUJMNJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2/c1-18(2)4-3-17-5-6-7(12)9(14)11(16)10(15)8(6)13/h17H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 268.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 112683482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).