2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine

C13H18F2N2 — CID 62532833

IUPAC2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
SMILESCCN(c1c(N)ccc(F)c1F)C1CCCC1
InChIInChI=1S/C13H18F2N2/c1-2-17(9-5-3-4-6-9)13-11(16)8-7-10(14)12(13)15/h7-9H,2-6,16H2,1H3
InChIKeyLFJXYJHUZJRHIV-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.32
Rot. Bonds3

About 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine

2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine (PubChem CID 62532833) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
PubChem CID62532833
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
SMILESCCN(c1c(N)ccc(F)c1F)C1CCCC1
InChIInChI=1S/C13H18F2N2/c1-2-17(9-5-3-4-6-9)13-11(16)8-7-10(14)12(13)15/h7-9H,2-6,16H2,1H3
InChIKeyLFJXYJHUZJRHIV-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine (CID 62532833) is 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine is CCN(c1c(N)ccc(F)c1F)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The InChIKey is LFJXYJHUZJRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-17(9-5-3-4-6-9)13-11(16)8-7-10(14)12(13)15/h7-9H,2-6,16H2,1H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62532833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).