N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide

C10H6ClF6NO — CID 15906518

IUPACN-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC(Cl)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6ClF6NO/c11-8(10(15,16)17)18-7(19)5-1-3-6(4-2-5)9(12,13)14/h1-4,8H,(H,18,19)
InChIKeyPHFXNLDKHKPAPP-UHFFFAOYSA-N
MW305.61 g/mol
LogP3.56
Rot. Bonds2

About N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide

N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide (PubChem CID 15906518) has the molecular formula C10H6ClF6NO and a molecular weight of 305.61 g/mol. Its IUPAC name is N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide
PubChem CID15906518
Molecular FormulaC10H6ClF6NO
Molecular Weight305.61 g/mol
Exact Mass305.00
IUPAC NameN-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC(Cl)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6ClF6NO/c11-8(10(15,16)17)18-7(19)5-1-3-6(4-2-5)9(12,13)14/h1-4,8H,(H,18,19)
InChIKeyPHFXNLDKHKPAPP-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.61
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide (CID 15906518) is N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide is O=C(NC(Cl)C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is PHFXNLDKHKPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF6NO/c11-8(10(15,16)17)18-7(19)5-1-3-6(4-2-5)9(12,13)14/h1-4,8H,(H,18,19).
What are the key properties of N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide?
N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 305.61 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 15906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).