N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide

C12H24FNO — CID 167520294

IUPACN-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(F)CC)C(C)(C)C
InChIInChI=1S/C12H24FNO/c1-7-9(11(3,4)5)14-10(15)12(6,13)8-2/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyDDOBUJOUOOHDLN-UHFFFAOYSA-N
MW217.33 g/mol
LogP3.07
Rot. Bonds4

About N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide

N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide (PubChem CID 167520294) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide
PubChem CID167520294
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC NameN-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide
SMILESCCC(NC(=O)C(C)(F)CC)C(C)(C)C
InChIInChI=1S/C12H24FNO/c1-7-9(11(3,4)5)14-10(15)12(6,13)8-2/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyDDOBUJOUOOHDLN-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide?
The IUPAC name of N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide (CID 167520294) is N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide.
What is the SMILES notation for N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide?
The canonical SMILES for N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide is CCC(NC(=O)C(C)(F)CC)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide?
The InChIKey is DDOBUJOUOOHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-7-9(11(3,4)5)14-10(15)12(6,13)8-2/h9H,7-8H2,1-6H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide?
N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide has a molecular weight of 217.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentan-3-yl)-2-fluoro-2-methylbutanamide is sourced from PubChem (CID 167520294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).