4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine

C11H16ClFN2O2 — CID 103553765

IUPAC4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
SMILESCCCOCCOc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2/c1-2-3-16-4-5-17-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3
InChIKeyUCQYZNWDPULAJU-UHFFFAOYSA-N
MW262.71 g/mol
LogP2.45
Rot. Bonds6

About 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine

4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine (PubChem CID 103553765) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
PubChem CID103553765
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Name4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
SMILESCCCOCCOc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2/c1-2-3-16-4-5-17-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3
InChIKeyUCQYZNWDPULAJU-UHFFFAOYSA-N
XLogP2.45
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine
CID 103553723
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
5-bromo-3-methyl-2-(2-propoxyethoxy)aniline
CID 54853076
4-chloro-5-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzene-1,3-diamine
CID 103553739
1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene
CID 91691408
3-bromo-5-tert-butyl-2-(2-propoxyethoxy)aniline
CID 54853170
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
4-(4-bromophenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553635
3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
CID 106453020
5-chloro-1-N-ethyl-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine (CID 103553765) is 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine is CCCOCCOc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine?
The InChIKey is UCQYZNWDPULAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2/c1-2-3-16-4-5-17-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine?
4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine has a molecular weight of 262.71 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine is sourced from PubChem (CID 103553765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).