N-fluoro-2,2,4,4-tetramethylpentan-3-imine

C9H18FN — CID 23235944

IUPACN-fluoro-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=NF)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyZXRGFJCSZMTTTO-UHFFFAOYSA-N
MW159.25 g/mol
LogP3.40
Rot. Bonds

About N-fluoro-2,2,4,4-tetramethylpentan-3-imine

N-fluoro-2,2,4,4-tetramethylpentan-3-imine (PubChem CID 23235944) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-fluoro-2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound NameN-fluoro-2,2,4,4-tetramethylpentan-3-imine
PubChem CID23235944
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-fluoro-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=NF)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyZXRGFJCSZMTTTO-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-Tetramethyl-3-pentanone Imine
CID 2755632
Lithium di-t-butylmethyleneamide
CID 101048200
2,2,4,4-Tetramethylpentan-3-ylideneazanium
CID 7019373
N-(dimethyl-lambda3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane
CID 143953932
N-iodo-2,2,4,4-tetramethylpentan-3-imine
CID 154519805
N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine
CID 163772573
2,2,4,4-Tetramethylpentan-3-ylideneazanide
CID 101447339
CID 101770485
CID 101770485
N-(dimethyl-lambda3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine
CID 143953933

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of N-fluoro-2,2,4,4-tetramethylpentan-3-imine (CID 23235944) is N-fluoro-2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for N-fluoro-2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for N-fluoro-2,2,4,4-tetramethylpentan-3-imine is CC(C)(C)C(=NF)C(C)(C)C.
What is the InChIKey of N-fluoro-2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is ZXRGFJCSZMTTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3.
What are the key properties of N-fluoro-2,2,4,4-tetramethylpentan-3-imine?
N-fluoro-2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 159.25 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 23235944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).