2-methyl-N-propan-2-ylbutanimidoyl fluoride

C8H16FN — CID 134344210

IUPAC2-methyl-N-propan-2-ylbutanimidoyl fluoride
SMILESCCC(C)/C(F)=N/C(C)C
InChIInChI=1S/C8H16FN/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3/b10-8-
InChIKeyKWZVHPWUYXHRKZ-NTMALXAHSA-N
MW145.22 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-N-propan-2-ylbutanimidoyl fluoride

2-methyl-N-propan-2-ylbutanimidoyl fluoride (PubChem CID 134344210) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylbutanimidoyl fluoride.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylbutanimidoyl fluoride
PubChem CID134344210
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name2-methyl-N-propan-2-ylbutanimidoyl fluoride
SMILESCCC(C)/C(F)=N/C(C)C
InChIInChI=1S/C8H16FN/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3/b10-8-
InChIKeyKWZVHPWUYXHRKZ-NTMALXAHSA-N
XLogP2.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.81
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-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
pentan-3-ol
CID 11428
N-propan-2-ylbutan-2-imine
CID 535666
pentan-3-ol;dihydrochloride
CID 141116397
butan-2-ol;methane;pentan-3-ol
CID 160881005
1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 62361905
(3R)-3-methylpent-1-en-2-ol
CID 89203555
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
(6S)-4-chloro-4,6-dimethyl-N-propan-2-yloctan-3-imine
CID 11042602
CID 174036232
CID 174036232
methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate
CID 163858298
N-butan-2-ylpropan-2-imine
CID 118347004

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylbutanimidoyl fluoride?
The IUPAC name of 2-methyl-N-propan-2-ylbutanimidoyl fluoride (CID 134344210) is 2-methyl-N-propan-2-ylbutanimidoyl fluoride.
What is the SMILES notation for 2-methyl-N-propan-2-ylbutanimidoyl fluoride?
The canonical SMILES for 2-methyl-N-propan-2-ylbutanimidoyl fluoride is CCC(C)/C(F)=N/C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylbutanimidoyl fluoride?
The InChIKey is KWZVHPWUYXHRKZ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H16FN/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3/b10-8-.
What are the key properties of 2-methyl-N-propan-2-ylbutanimidoyl fluoride?
2-methyl-N-propan-2-ylbutanimidoyl fluoride has a molecular weight of 145.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylbutanimidoyl fluoride is sourced from PubChem (CID 134344210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).