2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine

C7H12FNO — CID 105428774

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCOCC1
InChIInChI=1S/C7H12FNO/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2
InChIKeyDYXKGUCMQYGDMR-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.63
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine

2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine (PubChem CID 105428774) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine
PubChem CID105428774
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCOCC1
InChIInChI=1S/C7H12FNO/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2
InChIKeyDYXKGUCMQYGDMR-UHFFFAOYSA-N
XLogP0.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyran-4-yl(fluoro)methanamine
CID 105427582
2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine
CID 105431235
2-(3,6-dihydro-2H-pyran-4-yl)-2,2-difluoro-ethanamine
CID 105432007
2-(3,6-dihydro-2H-pyran-5-yl)ethanamine
CID 55290393
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine hydrochloride
CID 71757140
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine
CID 71757141
3-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
CID 84049776
2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
CID 105428277

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine (CID 105428774) is 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine is NCC(F)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine?
The InChIKey is DYXKGUCMQYGDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-7(5-9)6-1-3-10-4-2-6/h1,7H,2-5,9H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine?
2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine has a molecular weight of 145.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine is sourced from PubChem (CID 105428774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).