N-[2-(fluoromethyl)-4-methylpentyl]acetamide

C9H18FNO — CID 138656168

IUPACN-[2-(fluoromethyl)-4-methylpentyl]acetamide
SMILESCC(=O)NCC(CF)CC(C)C
InChIInChI=1S/C9H18FNO/c1-7(2)4-9(5-10)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBWTVWSHCOKDEZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(fluoromethyl)-4-methylpentyl]acetamide

N-[2-(fluoromethyl)-4-methylpentyl]acetamide (PubChem CID 138656168) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-[2-(fluoromethyl)-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[2-(fluoromethyl)-4-methylpentyl]acetamide
PubChem CID138656168
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-[2-(fluoromethyl)-4-methylpentyl]acetamide
SMILESCC(=O)NCC(CF)CC(C)C
InChIInChI=1S/C9H18FNO/c1-7(2)4-9(5-10)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyCBWTVWSHCOKDEZ-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethyl)-4-methylpentyl]acetamide?
The IUPAC name of N-[2-(fluoromethyl)-4-methylpentyl]acetamide (CID 138656168) is N-[2-(fluoromethyl)-4-methylpentyl]acetamide.
What is the SMILES notation for N-[2-(fluoromethyl)-4-methylpentyl]acetamide?
The canonical SMILES for N-[2-(fluoromethyl)-4-methylpentyl]acetamide is CC(=O)NCC(CF)CC(C)C.
What is the InChIKey of N-[2-(fluoromethyl)-4-methylpentyl]acetamide?
The InChIKey is CBWTVWSHCOKDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)4-9(5-10)6-11-8(3)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-[2-(fluoromethyl)-4-methylpentyl]acetamide?
N-[2-(fluoromethyl)-4-methylpentyl]acetamide has a molecular weight of 175.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethyl)-4-methylpentyl]acetamide is sourced from PubChem (CID 138656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).