3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine

C11H15FN2O — CID 82725530

IUPAC3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1Nc1cccc(F)c1N
InChIInChI=1S/C11H15FN2O/c1-7-9(5-6-15-7)14-10-4-2-3-8(12)11(10)13/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeyHVEHHNKMRWDLRI-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.00
Rot. Bonds2

About 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine

3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (PubChem CID 82725530) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
PubChem CID82725530
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
SMILESCC1OCCC1Nc1cccc(F)c1N
InChIInChI=1S/C11H15FN2O/c1-7-9(5-6-15-7)14-10-4-2-3-8(12)11(10)13/h2-4,7,9,14H,5-6,13H2,1H3
InChIKeyHVEHHNKMRWDLRI-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine (CID 82725530) is 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine is CC1OCCC1Nc1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
The InChIKey is HVEHHNKMRWDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7-9(5-6-15-7)14-10-4-2-3-8(12)11(10)13/h2-4,7,9,14H,5-6,13H2,1H3.
What are the key properties of 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine?
3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine has a molecular weight of 210.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 82725530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).