N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide

C14H10F10N2O2 — CID 6428826

IUPACN-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F10N2O2/c1-25(2)10(28)26(8-5-3-7(4-6-8)12(17,18)19)9(27)11(15,16)13(20,21)14(22,23)24/h3-6H,1-2H3
InChIKeyPNNDBKHPFIDXDY-UHFFFAOYSA-N
MW428.23 g/mol
LogP4.55
Rot. Bonds3

About N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide

N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 6428826) has the molecular formula C14H10F10N2O2 and a molecular weight of 428.23 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID6428826
Molecular FormulaC14H10F10N2O2
Molecular Weight428.23 g/mol
Exact Mass428.06
IUPAC NameN-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F10N2O2/c1-25(2)10(28)26(8-5-3-7(4-6-8)12(17,18)19)9(27)11(15,16)13(20,21)14(22,23)24/h3-6H,1-2H3
InChIKeyPNNDBKHPFIDXDY-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide (CID 6428826) is N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide is CN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PNNDBKHPFIDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F10N2O2/c1-25(2)10(28)26(8-5-3-7(4-6-8)12(17,18)19)9(27)11(15,16)13(20,21)14(22,23)24/h3-6H,1-2H3.
What are the key properties of N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide?
N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 428.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 6428826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).