2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide

C10H9ClF4N2O — CID 169365366

IUPAC2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H9ClF4N2O/c11-5-8(16)17-6-1-3-7(4-2-6)18-10(14,15)9(12)13/h1-4,9H,5H2,(H2,16,17)
InChIKeyMJHNTNZVIDWIDU-UHFFFAOYSA-N
MW284.64 g/mol
LogP3.15
Rot. Bonds5

About 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide

2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide (PubChem CID 169365366) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
PubChem CID169365366
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H9ClF4N2O/c11-5-8(16)17-6-1-3-7(4-2-6)18-10(14,15)9(12)13/h1-4,9H,5H2,(H2,16,17)
InChIKeyMJHNTNZVIDWIDU-UHFFFAOYSA-N
XLogP3.15
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[4-(2,2-dimethylpropoxy)phenyl]ethanimidamide
CID 169368507
N'-hydroxy-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
CID 156545746
N'-(4-butan-2-yloxyphenyl)-2-chloroethanimidamide
CID 169365680
2-chloro-N'-[4-[(4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 169368086
N'-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-chloroethanimidamide
CID 169365065
2-[4-[(1-amino-2-chloroethylidene)amino]phenoxy]ethyl-trimethylazanium
CID 169369058
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide
CID 169369779
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide (CID 169365366) is 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide?
The InChIKey is MJHNTNZVIDWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c11-5-8(16)17-6-1-3-7(4-2-6)18-10(14,15)9(12)13/h1-4,9H,5H2,(H2,16,17).
What are the key properties of 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide?
2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide has a molecular weight of 284.64 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169365366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).