N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide

C9H18FNO2 — CID 138727597

IUPACN-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
SMILESCC(=O)NCC(F)COC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-7(12)11-5-8(10)6-13-9(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)
InChIKeyMEVOIIBUHKVSFN-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.28
Rot. Bonds4

About N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide

N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide (PubChem CID 138727597) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
PubChem CID138727597
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC NameN-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
SMILESCC(=O)NCC(F)COC(C)(C)C
InChIInChI=1S/C9H18FNO2/c1-7(12)11-5-8(10)6-13-9(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)
InChIKeyMEVOIIBUHKVSFN-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]oxy-2-methylpropyl]acetamide
CID 21743815
N-(2,2-dimethyl-3-propan-2-yloxypropyl)-2-fluoroacetamide
CID 58303685
2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
CID 88936094
N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 142615982
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 142623157
N-[3-(fluoromethoxy)-3-methylbutyl]-2,2-dimethylpropanamide
CID 144306305
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
N-[2-fluoro-3-(2-propoxyethoxy)butyl]-2-methylpropanamide
CID 147462838
N-[3-[3-[3-(ethylamino)propoxy]propoxy]-2-fluoro-3-methylbutyl]acetamide
CID 153390526
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
CID 153390661

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide (CID 138727597) is N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide is CC(=O)NCC(F)COC(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The InChIKey is MEVOIIBUHKVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-7(12)11-5-8(10)6-13-9(2,3)4/h8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide has a molecular weight of 191.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide is sourced from PubChem (CID 138727597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).