2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C13H26FNO — CID 141296696

IUPAC2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCCCC(F)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26FNO/c1-7-8-10(14)11(16)15-13(5,6)9-12(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyUDGFNFGRTJZSBE-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.46
Rot. Bonds5

About 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide

2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 141296696) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID141296696
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCCCC(F)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26FNO/c1-7-8-10(14)11(16)15-13(5,6)9-12(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyUDGFNFGRTJZSBE-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-1,1,3,3-Tetramethylbutylacetamide
CID 21608
Butanamide, N-(1,1-dimethylethyl)-3,3-dimethyl-
CID 547107
Pentanamide, N-tert.-butyl
CID 528625
N-tert-butyl-6-fluorohexanamide
CID 155937406
N-t-butyl-2,2-dimethylbutyramide
CID 3512219
N-tert-butyl-2-methylpentanamide
CID 3512222
N-tert-butyl-4-methylpentanamide
CID 58689125
N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide
CID 131913724
N-(tert-Butyl)-2-isopropyl-2,3-dimethylbutyramide
CID 101043
N-tert-butyl-2,4,4-trimethylpentanamide
CID 12436265
N-tert-butyl-2-ethyl-3,3-dimethylbutanamide
CID 58573717
2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 60707436

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 141296696) is 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CCCC(F)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is UDGFNFGRTJZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-7-8-10(14)11(16)15-13(5,6)9-12(2,3)4/h10H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 231.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 141296696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).