4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine

C14H21F3N2O — CID 63926092

IUPAC4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
SMILESCC(C)CCC(C)Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H21F3N2O/c1-8(2)4-5-9(3)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,4-5,18H2,1-3H3
InChIKeyNCZRWPDFGQYMDT-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.25
Rot. Bonds7

About 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine

4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine (PubChem CID 63926092) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
PubChem CID63926092
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
SMILESCC(C)CCC(C)Nc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H21F3N2O/c1-8(2)4-5-9(3)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,4-5,18H2,1-3H3
InChIKeyNCZRWPDFGQYMDT-UHFFFAOYSA-N
XLogP4.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluorobenzene-1,2-diamine
CID 63593558
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43699612
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425
4-fluoro-5-methoxy-1-N-(4-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 113476979
4-(difluoromethoxy)-5-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217128
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
2-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-2-ethylpropane-1,3-diol
CID 107864587
2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63591908
1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
CID 106284308
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]propane-1,2-diol
CID 66176537

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine (CID 63926092) is 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine is CC(C)CCC(C)Nc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The InChIKey is NCZRWPDFGQYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-8(2)4-5-9(3)19-12-7-13(20-14(16)17)10(15)6-11(12)18/h6-9,14,19H,4-5,18H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63926092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).