2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide

C10H12ClFNO- — CID 155624791

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide
SMILESC[N-]CCOCc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFNO/c1-13-4-5-14-7-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,7H2,1H3/q-1
InChIKeyNMPOLOUSLDIAES-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.00
Rot. Bonds5

About 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide

2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide (PubChem CID 155624791) has the molecular formula C10H12ClFNO- and a molecular weight of 216.66 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide
PubChem CID155624791
Molecular FormulaC10H12ClFNO-
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide
SMILESC[N-]CCOCc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFNO/c1-13-4-5-14-7-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,7H2,1H3/q-1
InChIKeyNMPOLOUSLDIAES-UHFFFAOYSA-N
XLogP3.00
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,4-dichloro-1-(propoxymethyl)benzene
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2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
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2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide (CID 155624791) is 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide is C[N-]CCOCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide?
The InChIKey is NMPOLOUSLDIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFNO/c1-13-4-5-14-7-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,7H2,1H3/q-1.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide?
2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide has a molecular weight of 216.66 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide is sourced from PubChem (CID 155624791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).