2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide

C12H14ClF3N2 — CID 169365282

IUPAC2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
SMILESCC(C)c1ccc(/N=C(/N)CCl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2/c1-7(2)8-3-4-10(18-11(17)6-13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H2,17,18)
InChIKeyXPJLOXSWZISENW-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169365282) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169365282
Molecular FormulaC12H14ClF3N2
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
SMILESCC(C)c1ccc(/N=C(/N)CCl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2/c1-7(2)8-3-4-10(18-11(17)6-13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H2,17,18)
InChIKeyXPJLOXSWZISENW-UHFFFAOYSA-N
XLogP4.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975
2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169367038
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169366495
2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
CID 169365195
N'-(4-acetyl-2-tert-butylphenyl)-2-chloroethanimidamide
CID 169366148
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide (CID 169365282) is 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide is CC(C)c1ccc(/N=C(/N)CCl)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is XPJLOXSWZISENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c1-7(2)8-3-4-10(18-11(17)6-13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 278.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169365282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).