2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

C11H14F2N2O — CID 62823821

IUPAC2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCC2CCOC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyNSQSSFLSJBCCQL-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.00
Rot. Bonds3

About 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (PubChem CID 62823821) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
PubChem CID62823821
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCC2CCOC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyNSQSSFLSJBCCQL-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.00
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

2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
2-bromo-4,6-difluoro-N-(oxan-3-ylmethyl)aniline
CID 63738932
2-bromo-4,6-difluoro-N-(oxan-4-ylmethyl)aniline
CID 62384569
3,5-difluoro-4-(oxan-3-ylmethylamino)benzonitrile
CID 78988384
3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline
CID 104843513
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
3-[(4-amino-2,6-difluoroanilino)methyl]cyclohexan-1-ol
CID 106119943
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
3,4-difluoro-2-N-(oxan-4-ylmethyl)benzene-1,2-diamine
CID 55225841

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (CID 62823821) is 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is Nc1cc(F)c(NCC2CCOC2)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is NSQSSFLSJBCCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-3-8(14)4-10(13)11(9)15-5-7-1-2-16-6-7/h3-4,7,15H,1-2,5-6,14H2.
What are the key properties of 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 228.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 62823821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).