5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol

C10H11ClFNO — CID 19787431

IUPAC5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol
SMILESCC/C(C)=N/c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-3-6(2)13-9-5-10(14)7(11)4-8(9)12/h4-5,14H,3H2,1-2H3/b13-6+
InChIKeyPRFGEQIJPMJTPM-AWNIVKPZSA-N
MW215.66 g/mol
LogP3.69
Rot. Bonds2

About 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol

5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol (PubChem CID 19787431) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol.

Molecular Properties

Compound Name5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol
PubChem CID19787431
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol
SMILESCC/C(C)=N/c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-3-6(2)13-9-5-10(14)7(11)4-8(9)12/h4-5,14H,3H2,1-2H3/b13-6+
InChIKeyPRFGEQIJPMJTPM-AWNIVKPZSA-N
XLogP3.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol?
The IUPAC name of 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol (CID 19787431) is 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol.
What is the SMILES notation for 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol?
The canonical SMILES for 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol is CC/C(C)=N/c1cc(O)c(Cl)cc1F.
What is the InChIKey of 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol?
The InChIKey is PRFGEQIJPMJTPM-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-3-6(2)13-9-5-10(14)7(11)4-8(9)12/h4-5,14H,3H2,1-2H3/b13-6+.
What are the key properties of 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol?
5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol has a molecular weight of 215.66 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylideneamino)-2-chloro-4-fluorophenol is sourced from PubChem (CID 19787431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).