N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide

C16H32FNO — CID 156570481

IUPACN-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide
SMILESCC(C)CC(C)(C)NC(=O)CC(C)(C)CC(C)(C)F
InChIInChI=1S/C16H32FNO/c1-12(2)9-16(7,8)18-13(19)10-14(3,4)11-15(5,6)17/h12H,9-11H2,1-8H3,(H,18,19)
InChIKeyNERQSIGRCZOZFJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.48
Rot. Bonds7

About N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide

N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide (PubChem CID 156570481) has the molecular formula C16H32FNO and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide
PubChem CID156570481
Molecular FormulaC16H32FNO
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC NameN-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide
SMILESCC(C)CC(C)(C)NC(=O)CC(C)(C)CC(C)(C)F
InChIInChI=1S/C16H32FNO/c1-12(2)9-16(7,8)18-13(19)10-14(3,4)11-15(5,6)17/h12H,9-11H2,1-8H3,(H,18,19)
InChIKeyNERQSIGRCZOZFJ-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide?
The IUPAC name of N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide (CID 156570481) is N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide?
The canonical SMILES for N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide is CC(C)CC(C)(C)NC(=O)CC(C)(C)CC(C)(C)F.
What is the InChIKey of N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide?
The InChIKey is NERQSIGRCZOZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FNO/c1-12(2)9-16(7,8)18-13(19)10-14(3,4)11-15(5,6)17/h12H,9-11H2,1-8H3,(H,18,19).
What are the key properties of N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide?
N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide has a molecular weight of 273.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-2-yl)-5-fluoro-3,3,5-trimethylhexanamide is sourced from PubChem (CID 156570481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).