N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide

C11H7F6NO — CID 11011479

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)N=C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H7F6NO/c1-6-2-4-7(5-3-6)8(19)18-9(10(12,13)14)11(15,16)17/h2-5H,1H3
InChIKeyMNLMEONKHNDWBG-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.70
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide

N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide (PubChem CID 11011479) has the molecular formula C11H7F6NO and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide
PubChem CID11011479
Molecular FormulaC11H7F6NO
Molecular Weight283.17 g/mol
Exact Mass283.04
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)N=C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H7F6NO/c1-6-2-4-7(5-3-6)8(19)18-9(10(12,13)14)11(15,16)17/h2-5H,1H3
InChIKeyMNLMEONKHNDWBG-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide (CID 11011479) is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide is Cc1ccc(C(=O)N=C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide?
The InChIKey is MNLMEONKHNDWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO/c1-6-2-4-7(5-3-6)8(19)18-9(10(12,13)14)11(15,16)17/h2-5H,1H3.
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide has a molecular weight of 283.17 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylbenzamide is sourced from PubChem (CID 11011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).