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

C7H12FNO — CID 102648240

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCCCO1
InChIInChI=1S/C7H12FNO/c8-6(5-9)7-3-1-2-4-10-7/h3,6H,1-2,4-5,9H2
InChIKeyYBQFWBPNUCFXFJ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.98
Rot. Bonds2

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

2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine (PubChem CID 102648240) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine
PubChem CID102648240
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine
SMILESNCC(F)C1=CCCCO1
InChIInChI=1S/C7H12FNO/c8-6(5-9)7-3-1-2-4-10-7/h3,6H,1-2,4-5,9H2
InChIKeyYBQFWBPNUCFXFJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine (CID 102648240) is 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine is NCC(F)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine?
The InChIKey is YBQFWBPNUCFXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-6(5-9)7-3-1-2-4-10-7/h3,6H,1-2,4-5,9H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine?
2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine has a molecular weight of 145.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoroethanamine is sourced from PubChem (CID 102648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).