4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine

C10H16FN3O — CID 126856140

IUPAC4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
SMILESCN(Cc1cncn1C)C1COCC1F
InChIInChI=1S/C10H16FN3O/c1-13(10-6-15-5-9(10)11)4-8-3-12-7-14(8)2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyRVZWZWUZCDUIAT-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.59
Rot. Bonds3

About 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine

4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine (PubChem CID 126856140) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
PubChem CID126856140
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
SMILESCN(Cc1cncn1C)C1COCC1F
InChIInChI=1S/C10H16FN3O/c1-13(10-6-15-5-9(10)11)4-8-3-12-7-14(8)2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyRVZWZWUZCDUIAT-UHFFFAOYSA-N
XLogP0.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine (CID 126856140) is 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine is CN(Cc1cncn1C)C1COCC1F.
What is the InChIKey of 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is RVZWZWUZCDUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-13(10-6-15-5-9(10)11)4-8-3-12-7-14(8)2/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine?
4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 213.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).