3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine

C11H14F2N2 — CID 82933880

IUPAC3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)c(F)cc1F
InChIInChI=1S/C11H14F2N2/c12-8-5-9(13)11(6-10(8)14)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2
InChIKeyZCCBDFOEONCXLA-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.90
Rot. Bonds2

About 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine

3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine (PubChem CID 82933880) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
PubChem CID82933880
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)c(F)cc1F
InChIInChI=1S/C11H14F2N2/c12-8-5-9(13)11(6-10(8)14)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2
InChIKeyZCCBDFOEONCXLA-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100112
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine (CID 82933880) is 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine is Nc1cc(NC2CCCC2)c(F)cc1F.
What is the InChIKey of 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine?
The InChIKey is ZCCBDFOEONCXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-8-5-9(13)11(6-10(8)14)15-7-3-1-2-4-7/h5-7,15H,1-4,14H2.
What are the key properties of 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine?
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine has a molecular weight of 212.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine is sourced from PubChem (CID 82933880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).