2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide

C12H15FN2O2 — CID 54977390

IUPAC2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCC1CCOC1
InChIInChI=1S/C12H15FN2O2/c13-9-2-1-3-10(11(9)12(14)15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyANNUORQQEYNRQR-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.53
Rot. Bonds4

About 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide

2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide (PubChem CID 54977390) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
PubChem CID54977390
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCC1CCOC1
InChIInChI=1S/C12H15FN2O2/c13-9-2-1-3-10(11(9)12(14)15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyANNUORQQEYNRQR-UHFFFAOYSA-N
XLogP1.53
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
2-(oxan-4-ylmethoxy)benzenecarboximidamide
CID 62381525
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-(oxolan-3-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551091
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711
2-chloro-6-(oxolan-3-ylmethoxy)aniline
CID 104835038
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide (CID 54977390) is 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OCC1CCOC1.
What is the InChIKey of 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is ANNUORQQEYNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-2-1-3-10(11(9)12(14)15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2,(H3,14,15).
What are the key properties of 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide?
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 238.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 54977390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).