2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide

C12H22FNO — CID 146640402

IUPAC2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide
SMILESCCCC(C)(CC)C(=O)NC1(CF)CC1
InChIInChI=1S/C12H22FNO/c1-4-6-11(3,5-2)10(15)14-12(9-13)7-8-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyFWEFGMVPRHLJEC-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.82
Rot. Bonds6

About 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide

2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide (PubChem CID 146640402) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide
PubChem CID146640402
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide
SMILESCCCC(C)(CC)C(=O)NC1(CF)CC1
InChIInChI=1S/C12H22FNO/c1-4-6-11(3,5-2)10(15)14-12(9-13)7-8-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyFWEFGMVPRHLJEC-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide?
The IUPAC name of 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide (CID 146640402) is 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide.
What is the SMILES notation for 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide?
The canonical SMILES for 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide is CCCC(C)(CC)C(=O)NC1(CF)CC1.
What is the InChIKey of 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide?
The InChIKey is FWEFGMVPRHLJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-4-6-11(3,5-2)10(15)14-12(9-13)7-8-12/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide?
2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide has a molecular weight of 215.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(fluoromethyl)cyclopropyl]-2-methylpentanamide is sourced from PubChem (CID 146640402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).