N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide

C14H24F3NO2 — CID 23184770

IUPACN-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
SMILESCC(=O)NCC(=O)C(C(C)(C)F)(C(C)(C)F)C(C)(C)F
InChIInChI=1S/C14H24F3NO2/c1-9(19)18-8-10(20)14(11(2,3)15,12(4,5)16)13(6,7)17/h8H2,1-7H3,(H,18,19)
InChIKeyINRBXZTZBKNIHL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.92
Rot. Bonds6

About N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide

N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide (PubChem CID 23184770) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
PubChem CID23184770
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
SMILESCC(=O)NCC(=O)C(C(C)(C)F)(C(C)(C)F)C(C)(C)F
InChIInChI=1S/C14H24F3NO2/c1-9(19)18-8-10(20)14(11(2,3)15,12(4,5)16)13(6,7)17/h8H2,1-7H3,(H,18,19)
InChIKeyINRBXZTZBKNIHL-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethyl-5-oxoheptyl)-2,2,2-trifluoroacetamide
CID 135010069
N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-2-(fluoromethyl)-2-methylcyclopropane-1-carboxamide
CID 68277023
N-[6-fluoro-5,5-bis(fluoromethyl)-2-methyl-4-oxohexan-3-yl]acetamide
CID 88125024
N-(5,5,5-trifluoro-4-methyl-2-oxopentyl)acetamide
CID 88125575
N-(6,6,6-trifluoro-2,5-dioxo-4-propan-2-ylhexyl)acetamide
CID 88126208
N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-3,3,3-trifluoropropanamide
CID 89774688
N-[(3S)-2,2-dimethyl-4-oxopentan-3-yl]-2-(fluoromethyl)-2-methylcyclopropane-1-carboxamide
CID 117767183
3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
CID 145466593
N-(2,2-dimethyl-4-oxopentan-3-yl)-3,3,3-trifluoropropanamide;ethane
CID 145466645
N-(2-fluoroethyl)-3-methyl-2-oxohexanamide
CID 145466660
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785221

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide?
The IUPAC name of N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide (CID 23184770) is N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide?
The canonical SMILES for N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide is CC(=O)NCC(=O)C(C(C)(C)F)(C(C)(C)F)C(C)(C)F.
What is the InChIKey of N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide?
The InChIKey is INRBXZTZBKNIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-9(19)18-8-10(20)14(11(2,3)15,12(4,5)16)13(6,7)17/h8H2,1-7H3,(H,18,19).
What are the key properties of N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide?
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide is sourced from PubChem (CID 23184770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).