N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide

C9H18FNO2 — CID 156794580

IUPACN-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCCF
InChIInChI=1S/C9H18FNO2/c1-8(2)9(12)11-5-7-13-6-3-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyCMJNTCAHUQLJSO-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide

N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide (PubChem CID 156794580) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide
PubChem CID156794580
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC NameN-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCCF
InChIInChI=1S/C9H18FNO2/c1-8(2)9(12)11-5-7-13-6-3-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyCMJNTCAHUQLJSO-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorocyclopropyl)oxyethyl]-2-methylpropanamide
CID 57886910
N-[2-(difluoromethoxy)ethyl]-2-methylpropanamide
CID 57886985
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
2-methyl-N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 132224641
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727262
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727778
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
CID 142615836
N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 142615905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide (CID 156794580) is N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOCCCF.
What is the InChIKey of N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide?
The InChIKey is CMJNTCAHUQLJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8(2)9(12)11-5-7-13-6-3-4-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide?
N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide has a molecular weight of 191.25 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoropropoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 156794580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).