2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine

C11H16F2N2 — CID 61017043

IUPAC2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine
SMILESCCCC(C)Nc1c(F)cc(N)cc1F
InChIInChI=1S/C11H16F2N2/c1-3-4-7(2)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3
InChIKeyCBWLTPKJVUADRC-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.15
Rot. Bonds4

About 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine

2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine (PubChem CID 61017043) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine
PubChem CID61017043
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine
SMILESCCCC(C)Nc1c(F)cc(N)cc1F
InChIInChI=1S/C11H16F2N2/c1-3-4-7(2)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3
InChIKeyCBWLTPKJVUADRC-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
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 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine (CID 61017043) is 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine is CCCC(C)Nc1c(F)cc(N)cc1F.
What is the InChIKey of 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine?
The InChIKey is CBWLTPKJVUADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-3-4-7(2)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine?
2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine has a molecular weight of 214.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-pentan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 61017043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).