1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine

C10H11F5N2 — CID 55242568

IUPAC1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
SMILESCC(N)CN(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2/c1-4(16)3-17(2)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3,16H2,1-2H3
InChIKeyIRMJAGZCCQPZGV-UHFFFAOYSA-N
MW254.20 g/mol
LogP2.17
Rot. Bonds3

About 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine

1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine (PubChem CID 55242568) has the molecular formula C10H11F5N2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
PubChem CID55242568
Molecular FormulaC10H11F5N2
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
SMILESCC(N)CN(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2/c1-4(16)3-17(2)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3,16H2,1-2H3
InChIKeyIRMJAGZCCQPZGV-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine (CID 55242568) is 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine is CC(N)CN(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The InChIKey is IRMJAGZCCQPZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2/c1-4(16)3-17(2)10-8(14)6(12)5(11)7(13)9(10)15/h4H,3,16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine has a molecular weight of 254.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 55242568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).