(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride

C10H10Cl2FNO2 — CID 126578212

IUPAC(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
SMILESCC(C)Oc1c(Cl)ccc(/C(Cl)=N\O)c1F
InChIInChI=1S/C10H10Cl2FNO2/c1-5(2)16-9-7(11)4-3-6(8(9)13)10(12)14-15/h3-5,15H,1-2H3/b14-10+
InChIKeyZWTYVNBSGAPLKA-GXDHUFHOSA-N
MW266.10 g/mol
LogP3.64
Rot. Bonds3

About (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride

(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride (PubChem CID 126578212) has the molecular formula C10H10Cl2FNO2 and a molecular weight of 266.10 g/mol. Its IUPAC name is (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
PubChem CID126578212
Molecular FormulaC10H10Cl2FNO2
Molecular Weight266.10 g/mol
Exact Mass265.01
IUPAC Name(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
SMILESCC(C)Oc1c(Cl)ccc(/C(Cl)=N\O)c1F
InChIInChI=1S/C10H10Cl2FNO2/c1-5(2)16-9-7(11)4-3-6(8(9)13)10(12)14-15/h3-5,15H,1-2H3/b14-10+
InChIKeyZWTYVNBSGAPLKA-GXDHUFHOSA-N
XLogP3.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride (CID 126578212) is (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride is CC(C)Oc1c(Cl)ccc(/C(Cl)=N\O)c1F.
What is the InChIKey of (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride?
The InChIKey is ZWTYVNBSGAPLKA-GXDHUFHOSA-N. The full InChI is InChI=1S/C10H10Cl2FNO2/c1-5(2)16-9-7(11)4-3-6(8(9)13)10(12)14-15/h3-5,15H,1-2H3/b14-10+.
What are the key properties of (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride?
(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride has a molecular weight of 266.10 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride is sourced from PubChem (CID 126578212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).