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

C12H13F5N2 — CID 115308124

IUPAC2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
SMILESCC(CN)(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C12H13F5N2/c1-12(4-18,5-2-3-5)19-11-9(16)7(14)6(13)8(15)10(11)17/h5,19H,2-4,18H2,1H3
InChIKeyPGLPAOBNYPFDCI-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.92
Rot. Bonds4

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

2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine (PubChem CID 115308124) has the molecular formula C12H13F5N2 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
PubChem CID115308124
Molecular FormulaC12H13F5N2
Molecular Weight280.24 g/mol
Exact Mass280.10
IUPAC Name2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
SMILESCC(CN)(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C12H13F5N2/c1-12(4-18,5-2-3-5)19-11-9(16)7(14)6(13)8(15)10(11)17/h5,19H,2-4,18H2,1H3
InChIKeyPGLPAOBNYPFDCI-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
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 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine (CID 115308124) is 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine is CC(CN)(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
The InChIKey is PGLPAOBNYPFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2/c1-12(4-18,5-2-3-5)19-11-9(16)7(14)6(13)8(15)10(11)17/h5,19H,2-4,18H2,1H3.
What are the key properties of 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine?
2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine has a molecular weight of 280.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine is sourced from PubChem (CID 115308124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).