N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide

C11H10F5NO — CID 607087

IUPACN-butan-2-yl-2,3,4,5,6-pentafluorobenzamide
SMILESCCC(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-3-4(2)17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18)
InChIKeyLLYDXLJCSZXBPV-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.91
Rot. Bonds3

About N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide

N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 607087) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2,3,4,5,6-pentafluorobenzamide
PubChem CID607087
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC NameN-butan-2-yl-2,3,4,5,6-pentafluorobenzamide
SMILESCCC(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-3-4(2)17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18)
InChIKeyLLYDXLJCSZXBPV-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide (CID 607087) is N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide is CCC(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is LLYDXLJCSZXBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-3-4(2)17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide?
N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 267.20 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 607087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).