1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine

C9H10ClF2NO — CID 50995497

IUPAC1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine
SMILESCONC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2NO/c1-14-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8-9,13H,1H3
InChIKeyVFNNAYPYICDTNL-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine

1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine (PubChem CID 50995497) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine
PubChem CID50995497
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine
SMILESCONC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2NO/c1-14-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8-9,13H,1H3
InChIKeyVFNNAYPYICDTNL-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Chloroamphetamine
CID 3127
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(4-Chlorophenyl)ethylamine
CID 97803
1-(2-Chlorophenyl)ethanamine
CID 299767
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
(alphaS)-2-Chloro-alpha-methylbenzenemethanamine
CID 1551199
(R)-1-(3-chlorophenyl)ethanamine
CID 2507697
1-(3-Chlorophenyl)ethan-1-amine
CID 5006170
(S)-1-(3-chlorophenyl)ethanamine
CID 2507691
1-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 53394777
4-Chloro-alpha-ethylbenzeneethanamine
CID 150989

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine (CID 50995497) is 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine is CONC(c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine?
The InChIKey is VFNNAYPYICDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-14-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8-9,13H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine?
1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine has a molecular weight of 221.63 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine is sourced from PubChem (CID 50995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).