4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium

C9H9ClFN2O+ — CID 11230465

IUPAC4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
SMILESCC(C)Oc1cc([N+]#N)c(F)cc1Cl
InChIInChI=1S/C9H9ClFN2O/c1-5(2)14-9-4-8(13-12)7(11)3-6(9)10/h3-5H,1-2H3/q+1
InChIKeyCCECKVYWSXVTBR-UHFFFAOYSA-N
MW215.63 g/mol
LogP3.75
Rot. Bonds2

About 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium

4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium (PubChem CID 11230465) has the molecular formula C9H9ClFN2O+ and a molecular weight of 215.63 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
PubChem CID11230465
Molecular FormulaC9H9ClFN2O+
Molecular Weight215.63 g/mol
Exact Mass215.04
IUPAC Name4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
SMILESCC(C)Oc1cc([N+]#N)c(F)cc1Cl
InChIInChI=1S/C9H9ClFN2O/c1-5(2)14-9-4-8(13-12)7(11)3-6(9)10/h3-5H,1-2H3/q+1
InChIKeyCCECKVYWSXVTBR-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)diazenyl]-3-hydroxybut-2-enoic acid
CID 136593698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium?
The IUPAC name of 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium (CID 11230465) is 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium.
What is the SMILES notation for 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium?
The canonical SMILES for 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium is CC(C)Oc1cc([N+]#N)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium?
The InChIKey is CCECKVYWSXVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN2O/c1-5(2)14-9-4-8(13-12)7(11)3-6(9)10/h3-5H,1-2H3/q+1.
What are the key properties of 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium?
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium has a molecular weight of 215.63 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium is sourced from PubChem (CID 11230465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).