1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine

C11H14F2N2 — CID 63734282

IUPAC1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NC2CCC2)c(C(F)F)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-6-7(14)4-5-10(9)15-8-2-1-3-8/h4-6,8,11,15H,1-3,14H2
InChIKeyDAESVWBAAHEHFN-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.17
Rot. Bonds3

About 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine

1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine (PubChem CID 63734282) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
PubChem CID63734282
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NC2CCC2)c(C(F)F)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-6-7(14)4-5-10(9)15-8-2-1-3-8/h4-6,8,11,15H,1-3,14H2
InChIKeyDAESVWBAAHEHFN-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.17
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 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine (CID 63734282) is 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine is Nc1ccc(NC2CCC2)c(C(F)F)c1.
What is the InChIKey of 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine?
The InChIKey is DAESVWBAAHEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)9-6-7(14)4-5-10(9)15-8-2-1-3-8/h4-6,8,11,15H,1-3,14H2.
What are the key properties of 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine?
1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine has a molecular weight of 212.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclobutyl-2-(difluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63734282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).