5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide

C9H9ClF2N2O — CID 82004072

IUPAC5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCC(F)F
InChIInChI=1S/C9H9ClF2N2O/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H3,13,14)
InChIKeyMVJKKYTXYFLARH-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide

5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide (PubChem CID 82004072) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
PubChem CID82004072
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC Name5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OCC(F)F
InChIInChI=1S/C9H9ClF2N2O/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H3,13,14)
InChIKeyMVJKKYTXYFLARH-UHFFFAOYSA-N
XLogP2.27
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide 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

5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide (CID 82004072) is 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OCC(F)F.
What is the InChIKey of 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide?
The InChIKey is MVJKKYTXYFLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3,8H,4H2,(H3,13,14).
What are the key properties of 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide?
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide has a molecular weight of 234.63 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide is sourced from PubChem (CID 82004072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).