2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline

C9H10Cl2FNO — CID 86152824

IUPAC2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
SMILESCC(C)Oc1c(Cl)cc(F)c(N)c1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-4(2)14-9-5(10)3-6(12)8(13)7(9)11/h3-4H,13H2,1-2H3
InChIKeyVCLPTQWEMJZDPJ-UHFFFAOYSA-N
MW238.09 g/mol
LogP3.50
Rot. Bonds2

About 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline

2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline (PubChem CID 86152824) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
PubChem CID86152824
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
SMILESCC(C)Oc1c(Cl)cc(F)c(N)c1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-4(2)14-9-5(10)3-6(12)8(13)7(9)11/h3-4H,13H2,1-2H3
InChIKeyVCLPTQWEMJZDPJ-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
3-chloro-2,4,6-trifluoroaniline
CID 71758632
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline?
The IUPAC name of 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline (CID 86152824) is 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline.
What is the SMILES notation for 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline?
The canonical SMILES for 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline is CC(C)Oc1c(Cl)cc(F)c(N)c1Cl.
What is the InChIKey of 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline?
The InChIKey is VCLPTQWEMJZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO/c1-4(2)14-9-5(10)3-6(12)8(13)7(9)11/h3-4H,13H2,1-2H3.
What are the key properties of 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline?
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline has a molecular weight of 238.09 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline is sourced from PubChem (CID 86152824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).