2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine

C14H19F3N2O — CID 63591908

IUPAC2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCC(C)CN(c1cc(OC(F)F)c(F)cc1N)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-8(2)7-19(9-3-4-9)12-6-13(20-14(16)17)10(15)5-11(12)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3
InChIKeyBCSGDCHVCGIHFA-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.63
Rot. Bonds6

About 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine

2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 63591908) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID63591908
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCC(C)CN(c1cc(OC(F)F)c(F)cc1N)C1CC1
InChIInChI=1S/C14H19F3N2O/c1-8(2)7-19(9-3-4-9)12-6-13(20-14(16)17)10(15)5-11(12)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3
InChIKeyBCSGDCHVCGIHFA-UHFFFAOYSA-N
XLogP3.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.63
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-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine (CID 63591908) is 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine is CC(C)CN(c1cc(OC(F)F)c(F)cc1N)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is BCSGDCHVCGIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-8(2)7-19(9-3-4-9)12-6-13(20-14(16)17)10(15)5-11(12)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine?
2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 288.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 63591908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).