3-N-cyclohexyl-4-fluorobenzene-1,3-diamine

C12H17FN2 — CID 82932749

IUPAC3-N-cyclohexyl-4-fluorobenzene-1,3-diamine
SMILESNc1ccc(F)c(NC2CCCCC2)c1
InChIInChI=1S/C12H17FN2/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2
InChIKeyDSFQKWREYMWBIF-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.15
Rot. Bonds2

About 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine

3-N-cyclohexyl-4-fluorobenzene-1,3-diamine (PubChem CID 82932749) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-4-fluorobenzene-1,3-diamine
PubChem CID82932749
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-N-cyclohexyl-4-fluorobenzene-1,3-diamine
SMILESNc1ccc(F)c(NC2CCCCC2)c1
InChIInChI=1S/C12H17FN2/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2
InChIKeyDSFQKWREYMWBIF-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
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 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine (CID 82932749) is 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine is Nc1ccc(F)c(NC2CCCCC2)c1.
What is the InChIKey of 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine?
The InChIKey is DSFQKWREYMWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2.
What are the key properties of 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine?
3-N-cyclohexyl-4-fluorobenzene-1,3-diamine has a molecular weight of 208.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 82932749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).