2-ethyl-1,3-difluorobenzene;N-formylpentanamide

C14H19F2NO2 — CID 176933071

IUPAC2-ethyl-1,3-difluorobenzene;N-formylpentanamide
SMILESCCCCC(=O)NC=O.CCc1c(F)cccc1F
InChIInChI=1S/C8H8F2.C6H11NO2/c1-2-6-7(9)4-3-5-8(6)10;1-2-3-4-6(9)7-5-8/h3-5H,2H2,1H3;5H,2-4H2,1H3,(H,7,8,9)
InChIKeyRXFFSNMFFWXFQQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.98
Rot. Bonds5

About 2-ethyl-1,3-difluorobenzene;N-formylpentanamide

2-ethyl-1,3-difluorobenzene;N-formylpentanamide (PubChem CID 176933071) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-ethyl-1,3-difluorobenzene;N-formylpentanamide.

Molecular Properties

Compound Name2-ethyl-1,3-difluorobenzene;N-formylpentanamide
PubChem CID176933071
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-ethyl-1,3-difluorobenzene;N-formylpentanamide
SMILESCCCCC(=O)NC=O.CCc1c(F)cccc1F
InChIInChI=1S/C8H8F2.C6H11NO2/c1-2-6-7(9)4-3-5-8(6)10;1-2-3-4-6(9)7-5-8/h3-5H,2H2,1H3;5H,2-4H2,1H3,(H,7,8,9)
InChIKeyRXFFSNMFFWXFQQ-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-difluorobenzene;N-formylpentanamide?
The IUPAC name of 2-ethyl-1,3-difluorobenzene;N-formylpentanamide (CID 176933071) is 2-ethyl-1,3-difluorobenzene;N-formylpentanamide.
What is the SMILES notation for 2-ethyl-1,3-difluorobenzene;N-formylpentanamide?
The canonical SMILES for 2-ethyl-1,3-difluorobenzene;N-formylpentanamide is CCCCC(=O)NC=O.CCc1c(F)cccc1F.
What is the InChIKey of 2-ethyl-1,3-difluorobenzene;N-formylpentanamide?
The InChIKey is RXFFSNMFFWXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C6H11NO2/c1-2-6-7(9)4-3-5-8(6)10;1-2-3-4-6(9)7-5-8/h3-5H,2H2,1H3;5H,2-4H2,1H3,(H,7,8,9).
What are the key properties of 2-ethyl-1,3-difluorobenzene;N-formylpentanamide?
2-ethyl-1,3-difluorobenzene;N-formylpentanamide has a molecular weight of 271.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-difluorobenzene;N-formylpentanamide is sourced from PubChem (CID 176933071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).