5-chloro-2-fluoro-4-propan-2-yloxyaniline

C9H11ClFNO — CID 130516814

IUPAC5-chloro-2-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(N)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-5(2)13-9-4-7(11)8(12)3-6(9)10/h3-5H,12H2,1-2H3
InChIKeySPWVFGAAHQTWMG-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.85
Rot. Bonds2

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

5-chloro-2-fluoro-4-propan-2-yloxyaniline (PubChem CID 130516814) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-propan-2-yloxyaniline
PubChem CID130516814
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name5-chloro-2-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(N)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-5(2)13-9-4-7(11)8(12)3-6(9)10/h3-5H,12H2,1-2H3
InChIKeySPWVFGAAHQTWMG-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.85
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

2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
5-chloro-4-fluoro-2-pentan-2-yloxyaniline
CID 102980349

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 5-chloro-2-fluoro-4-propan-2-yloxyaniline (CID 130516814) is 5-chloro-2-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 5-chloro-2-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 5-chloro-2-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(F)c(N)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-propan-2-yloxyaniline?
The InChIKey is SPWVFGAAHQTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(2)13-9-4-7(11)8(12)3-6(9)10/h3-5H,12H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-4-propan-2-yloxyaniline?
5-chloro-2-fluoro-4-propan-2-yloxyaniline has a molecular weight of 203.64 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 130516814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).