4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine

C14H20F3N3O — CID 83003117

IUPAC4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine
SMILESCC1CCCC(C)N1Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H20F3N3O/c1-8-4-3-5-9(2)20(8)19-12-7-13(21-14(16)17)10(15)6-11(12)18/h6-9,14,19H,3-5,18H2,1-2H3
InChIKeyRRIYXQCOSQQRFI-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.60
Rot. Bonds4

About 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine

4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine (PubChem CID 83003117) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine
PubChem CID83003117
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine
SMILESCC1CCCC(C)N1Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H20F3N3O/c1-8-4-3-5-9(2)20(8)19-12-7-13(21-14(16)17)10(15)6-11(12)18/h6-9,14,19H,3-5,18H2,1-2H3
InChIKeyRRIYXQCOSQQRFI-UHFFFAOYSA-N
XLogP3.60
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine (CID 83003117) is 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine is CC1CCCC(C)N1Nc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine?
The InChIKey is RRIYXQCOSQQRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-8-4-3-5-9(2)20(8)19-12-7-13(21-14(16)17)10(15)6-11(12)18/h6-9,14,19H,3-5,18H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine?
4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine has a molecular weight of 303.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 83003117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).