N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide

C13H24FNO2 — CID 162785221

IUPACN-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)C[C@H](F)CNC(=O)C(C)(C)C
InChIInChI=1S/C13H24FNO2/c1-12(2,3)10(16)7-9(14)8-15-11(17)13(4,5)6/h9H,7-8H2,1-6H3,(H,15,17)/t9-/m0/s1
InChIKeyCIZIGNSVZQZZSK-VIFPVBQESA-N
MW245.34 g/mol
LogP2.49
Rot. Bonds4

About N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide

N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide (PubChem CID 162785221) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
PubChem CID162785221
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC NameN-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)C[C@H](F)CNC(=O)C(C)(C)C
InChIInChI=1S/C13H24FNO2/c1-12(2,3)10(16)7-9(14)8-15-11(17)13(4,5)6/h9H,7-8H2,1-6H3,(H,15,17)/t9-/m0/s1
InChIKeyCIZIGNSVZQZZSK-VIFPVBQESA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
N-(4,4-dimethyl-5-oxoheptyl)-2,2,2-trifluoroacetamide
CID 135010069
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
CID 23184770
2,2-dimethyl-N-(3,3,4,4,5,5,6,6-octafluorohexyl)butanamide
CID 58811000
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide
CID 59017701
4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 59169953
N-[6-fluoro-5,5-bis(fluoromethyl)-2-methyl-4-oxohexan-3-yl]acetamide
CID 88125024
N-(3-fluoropropyl)-4-methyl-3-oxopentanamide
CID 117715394
3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
CID 145466593
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
(2S)-2,5,5-trimethyl-4-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 164127578
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979428

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide (CID 162785221) is N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)C[C@H](F)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide?
The InChIKey is CIZIGNSVZQZZSK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24FNO2/c1-12(2,3)10(16)7-9(14)8-15-11(17)13(4,5)6/h9H,7-8H2,1-6H3,(H,15,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide?
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide has a molecular weight of 245.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162785221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).