3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine

C12H18F2N2O2 — CID 62531981

IUPAC3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1c(N)ccc(F)c1F
InChIInChI=1S/C12H18F2N2O2/c1-17-7-5-16(6-8-18-2)12-10(15)4-3-9(13)11(12)14/h3-4H,5-8,15H2,1-2H3
InChIKeyTVAHUMLURXVYHZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.65
Rot. Bonds7

About 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine

3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 62531981) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
PubChem CID62531981
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(CCOC)c1c(N)ccc(F)c1F
InChIInChI=1S/C12H18F2N2O2/c1-17-7-5-16(6-8-18-2)12-10(15)4-3-9(13)11(12)14/h3-4H,5-8,15H2,1-2H3
InChIKeyTVAHUMLURXVYHZ-UHFFFAOYSA-N
XLogP1.65
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-amino-2,3-difluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285147
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 62533650
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
5-chloro-6-fluoro-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)benzene-1,2,4-triamine
CID 103552877
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805
2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371224
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine (CID 62531981) is 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine is COCCN(CCOC)c1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is TVAHUMLURXVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-17-7-5-16(6-8-18-2)12-10(15)4-3-9(13)11(12)14/h3-4H,5-8,15H2,1-2H3.
What are the key properties of 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine?
3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 260.28 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 62531981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).