3-N-(2-fluoroethyl)butane-1,3-diimine

C6H11FN2 — CID 123747241

IUPAC3-N-(2-fluoroethyl)butane-1,3-diimine
SMILES[H]/N=C/C/C(C)=N/CCF
InChIInChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h4,8H,2-3,5H2,1H3/b8-4+,9-6+
InChIKeyINPUOXLHZJJQES-HNJDCKIISA-N
MW130.17 g/mol
LogP1.46
Rot. Bonds4

About 3-N-(2-fluoroethyl)butane-1,3-diimine

3-N-(2-fluoroethyl)butane-1,3-diimine (PubChem CID 123747241) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-N-(2-fluoroethyl)butane-1,3-diimine.

Molecular Properties

Compound Name3-N-(2-fluoroethyl)butane-1,3-diimine
PubChem CID123747241
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-N-(2-fluoroethyl)butane-1,3-diimine
SMILES[H]/N=C/C/C(C)=N/CCF
InChIInChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h4,8H,2-3,5H2,1H3/b8-4+,9-6+
InChIKeyINPUOXLHZJJQES-HNJDCKIISA-N
XLogP1.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iminobutan-2-one
CID 20812331
propane-1,3-diimine
CID 18934492
propane;propane-1,3-diimine
CID 142057441
1-chloro-1,1-difluoro-4-iminobutan-2-one
CID 54378967
3-imino-N-methoxypropanamide
CID 90877938
(3E)-3-ethylhexa-3,5-dien-1-imine
CID 163913850
(2S)-N-(2-fluoroethyl)-4-imino-2-methylbutanamide
CID 174601107
propane;propan-1-imine
CID 175287004
2-methylsulfonylethanimine
CID 57084541
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
N-[2-chloro-2-[(1-chloro-3-iminopropyl)amino]ethyl]ethanimidoyl chloride
CID 138478791

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoroethyl)butane-1,3-diimine?
The IUPAC name of 3-N-(2-fluoroethyl)butane-1,3-diimine (CID 123747241) is 3-N-(2-fluoroethyl)butane-1,3-diimine.
What is the SMILES notation for 3-N-(2-fluoroethyl)butane-1,3-diimine?
The canonical SMILES for 3-N-(2-fluoroethyl)butane-1,3-diimine is [H]/N=C/C/C(C)=N/CCF.
What is the InChIKey of 3-N-(2-fluoroethyl)butane-1,3-diimine?
The InChIKey is INPUOXLHZJJQES-HNJDCKIISA-N. The full InChI is InChI=1S/C6H11FN2/c1-6(2-4-8)9-5-3-7/h4,8H,2-3,5H2,1H3/b8-4+,9-6+.
What are the key properties of 3-N-(2-fluoroethyl)butane-1,3-diimine?
3-N-(2-fluoroethyl)butane-1,3-diimine has a molecular weight of 130.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoroethyl)butane-1,3-diimine is sourced from PubChem (CID 123747241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).