2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine

C11H13ClF3NO — CID 83107385

IUPAC2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-17-6-5-16-7-11(14,15)10-8(12)3-2-4-9(10)13/h2-4,16H,5-7H2,1H3
InChIKeyCXIXAIZAQPQCCT-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine

2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine (PubChem CID 83107385) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
PubChem CID83107385
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)(F)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-17-6-5-16-7-11(14,15)10-8(12)3-2-4-9(10)13/h2-4,16H,5-7H2,1H3
InChIKeyCXIXAIZAQPQCCT-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641690
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058645
2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine (CID 83107385) is 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine is COCCNCC(F)(F)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The InChIKey is CXIXAIZAQPQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-17-6-5-16-7-11(14,15)10-8(12)3-2-4-9(10)13/h2-4,16H,5-7H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine has a molecular weight of 267.68 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2,2-difluoro-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 83107385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).