2-butan-2-yloxy-6-fluorobenzenecarboximidamide

C11H15FN2O — CID 43609351

IUPAC2-butan-2-yloxy-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OC(C)CC
InChIInChI=1S/C11H15FN2O/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14)
InChIKeyGTQNQCXAIAOVPC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.29
Rot. Bonds4

About 2-butan-2-yloxy-6-fluorobenzenecarboximidamide

2-butan-2-yloxy-6-fluorobenzenecarboximidamide (PubChem CID 43609351) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-butan-2-yloxy-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-butan-2-yloxy-6-fluorobenzenecarboximidamide
PubChem CID43609351
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-butan-2-yloxy-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OC(C)CC
InChIInChI=1S/C11H15FN2O/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14)
InChIKeyGTQNQCXAIAOVPC-UHFFFAOYSA-N
XLogP2.29
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-butan-2-yloxy-6-fluorobenzenecarboximidamide (CID 43609351) is 2-butan-2-yloxy-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-butan-2-yloxy-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-butan-2-yloxy-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OC(C)CC.
What is the InChIKey of 2-butan-2-yloxy-6-fluorobenzenecarboximidamide?
The InChIKey is GTQNQCXAIAOVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14).
What are the key properties of 2-butan-2-yloxy-6-fluorobenzenecarboximidamide?
2-butan-2-yloxy-6-fluorobenzenecarboximidamide has a molecular weight of 210.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 43609351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).