2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine

C15H21F3N2O — CID 63594154

IUPAC2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
SMILESCCN(c1cc(OC(F)F)c(F)cc1N)C1CCCCC1
InChIInChI=1S/C15H21F3N2O/c1-2-20(10-6-4-3-5-7-10)13-9-14(21-15(17)18)11(16)8-12(13)19/h8-10,15H,2-7,19H2,1H3
InChIKeyQTBJHQMPDUWSCJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.17
Rot. Bonds5

About 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine

2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine (PubChem CID 63594154) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
PubChem CID63594154
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
SMILESCCN(c1cc(OC(F)F)c(F)cc1N)C1CCCCC1
InChIInChI=1S/C15H21F3N2O/c1-2-20(10-6-4-3-5-7-10)13-9-14(21-15(17)18)11(16)8-12(13)19/h8-10,15H,2-7,19H2,1H3
InChIKeyQTBJHQMPDUWSCJ-UHFFFAOYSA-N
XLogP4.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine (CID 63594154) is 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine is CCN(c1cc(OC(F)F)c(F)cc1N)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The InChIKey is QTBJHQMPDUWSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-20(10-6-4-3-5-7-10)13-9-14(21-15(17)18)11(16)8-12(13)19/h8-10,15H,2-7,19H2,1H3.
What are the key properties of 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine?
2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine has a molecular weight of 302.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 63594154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).