1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene

C14H11ClFNO2 — CID 91105237

IUPAC1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene
SMILESO=NC(Cl)Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClFNO2/c15-14(17-18)9-10-1-5-12(6-2-10)19-13-7-3-11(16)4-8-13/h1-8,14H,9H2
InChIKeyUXIZQIGLVJBCRX-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.49
Rot. Bonds5

About 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene

1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene (PubChem CID 91105237) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene
PubChem CID91105237
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene
SMILESO=NC(Cl)Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11ClFNO2/c15-14(17-18)9-10-1-5-12(6-2-10)19-13-7-3-11(16)4-8-13/h1-8,14H,9H2
InChIKeyUXIZQIGLVJBCRX-UHFFFAOYSA-N
XLogP4.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene?
The IUPAC name of 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene (CID 91105237) is 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene.
What is the SMILES notation for 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene?
The canonical SMILES for 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene is O=NC(Cl)Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene?
The InChIKey is UXIZQIGLVJBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-14(17-18)9-10-1-5-12(6-2-10)19-13-7-3-11(16)4-8-13/h1-8,14H,9H2.
What are the key properties of 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene?
1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene has a molecular weight of 279.70 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-nitrosoethyl)-4-(4-fluorophenoxy)benzene is sourced from PubChem (CID 91105237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).