2-ethyl-3-(fluoromethyl)octanamide

C11H22FNO — CID 173440200

IUPAC2-ethyl-3-(fluoromethyl)octanamide
SMILESCCCCCC(CF)C(CC)C(N)=O
InChIInChI=1S/C11H22FNO/c1-3-5-6-7-9(8-12)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyHDWIXEVVBHODKR-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.66
Rot. Bonds8

About 2-ethyl-3-(fluoromethyl)octanamide

2-ethyl-3-(fluoromethyl)octanamide (PubChem CID 173440200) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-ethyl-3-(fluoromethyl)octanamide.

Molecular Properties

Compound Name2-ethyl-3-(fluoromethyl)octanamide
PubChem CID173440200
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-ethyl-3-(fluoromethyl)octanamide
SMILESCCCCCC(CF)C(CC)C(N)=O
InChIInChI=1S/C11H22FNO/c1-3-5-6-7-9(8-12)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyHDWIXEVVBHODKR-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87166621
azane;2-ethyldodecanamide
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3-formyl-2-pentyloctanamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(fluoromethyl)octanamide?
The IUPAC name of 2-ethyl-3-(fluoromethyl)octanamide (CID 173440200) is 2-ethyl-3-(fluoromethyl)octanamide.
What is the SMILES notation for 2-ethyl-3-(fluoromethyl)octanamide?
The canonical SMILES for 2-ethyl-3-(fluoromethyl)octanamide is CCCCCC(CF)C(CC)C(N)=O.
What is the InChIKey of 2-ethyl-3-(fluoromethyl)octanamide?
The InChIKey is HDWIXEVVBHODKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-5-6-7-9(8-12)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-ethyl-3-(fluoromethyl)octanamide?
2-ethyl-3-(fluoromethyl)octanamide has a molecular weight of 203.30 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(fluoromethyl)octanamide is sourced from PubChem (CID 173440200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).