N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide

C9H17F3N2 — CID 170030001

IUPACN,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide
SMILESC/C(=N\C(C)C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(2)13-8(5)14(7(3)4)9(10,11)12/h6-7H,1-5H3/b13-8+
InChIKeyPJBCVPATQZUXHS-MDWZMJQESA-N
MW210.24 g/mol
LogP3.04
Rot. Bonds2

About N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide

N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide (PubChem CID 170030001) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide
PubChem CID170030001
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide
SMILESC/C(=N\C(C)C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(2)13-8(5)14(7(3)4)9(10,11)12/h6-7H,1-5H3/b13-8+
InChIKeyPJBCVPATQZUXHS-MDWZMJQESA-N
XLogP3.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide?
The IUPAC name of N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide (CID 170030001) is N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide?
The canonical SMILES for N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide is C/C(=N\C(C)C)N(C(C)C)C(F)(F)F.
What is the InChIKey of N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide?
The InChIKey is PJBCVPATQZUXHS-MDWZMJQESA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(2)13-8(5)14(7(3)4)9(10,11)12/h6-7H,1-5H3/b13-8+.
What are the key properties of N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide?
N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide is sourced from PubChem (CID 170030001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).