N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid

C11H23FNO3P — CID 142069117

IUPACN-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
SMILESCC(C)(C)CC(C(=O)NP(=O)(O)F)C(C)(C)C
InChIInChI=1S/C11H23FNO3P/c1-10(2,3)7-8(11(4,5)6)9(14)13-17(12,15)16/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyRSSNQYIECVKTIE-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.27
Rot. Bonds3

About N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid

N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid (PubChem CID 142069117) has the molecular formula C11H23FNO3P and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid.

Molecular Properties

Compound NameN-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
PubChem CID142069117
Molecular FormulaC11H23FNO3P
Molecular Weight267.28 g/mol
Exact Mass267.14
IUPAC NameN-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
SMILESCC(C)(C)CC(C(=O)NP(=O)(O)F)C(C)(C)C
InChIInChI=1S/C11H23FNO3P/c1-10(2,3)7-8(11(4,5)6)9(14)13-17(12,15)16/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyRSSNQYIECVKTIE-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
[2-[(2-tert-butyl-4,4-dimethylpentanoyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
CID 129124769
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide
CID 143433202
N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
CID 174169742

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid?
The IUPAC name of N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid (CID 142069117) is N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid.
What is the SMILES notation for N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid?
The canonical SMILES for N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid is CC(C)(C)CC(C(=O)NP(=O)(O)F)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid?
The InChIKey is RSSNQYIECVKTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FNO3P/c1-10(2,3)7-8(11(4,5)6)9(14)13-17(12,15)16/h8H,7H2,1-6H3,(H2,13,14,15,16).
What are the key properties of N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid?
N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid has a molecular weight of 267.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid is sourced from PubChem (CID 142069117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).