N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

C11H7ClF8N2 — CID 15509912

IUPACN'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESCc1cc(C(F)(F)F)cc(Cl)c1/N=C(\N)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF8N2/c1-4-2-5(10(15,16)17)3-6(12)7(4)22-8(21)9(13,14)11(18,19)20/h2-3H,1H3,(H2,21,22)
InChIKeyNOTQWPCBWWHAPJ-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.85
Rot. Bonds2

About N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (PubChem CID 15509912) has the molecular formula C11H7ClF8N2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
PubChem CID15509912
Molecular FormulaC11H7ClF8N2
Molecular Weight354.63 g/mol
Exact Mass354.02
IUPAC NameN'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESCc1cc(C(F)(F)F)cc(Cl)c1/N=C(\N)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7ClF8N2/c1-4-2-5(10(15,16)17)3-6(12)7(4)22-8(21)9(13,14)11(18,19)20/h2-3H,1H3,(H2,21,22)
InChIKeyNOTQWPCBWWHAPJ-UHFFFAOYSA-N
XLogP4.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The IUPAC name of N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (CID 15509912) is N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.
What is the SMILES notation for N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The canonical SMILES for N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is Cc1cc(C(F)(F)F)cc(Cl)c1/N=C(\N)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The InChIKey is NOTQWPCBWWHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF8N2/c1-4-2-5(10(15,16)17)3-6(12)7(4)22-8(21)9(13,14)11(18,19)20/h2-3H,1H3,(H2,21,22).
What are the key properties of N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide has a molecular weight of 354.63 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is sourced from PubChem (CID 15509912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).