3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine

C8H14FNO — CID 102648260

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)C1=CCCCO1
InChIInChI=1S/C8H14FNO/c9-7(4-5-10)8-3-1-2-6-11-8/h3,7H,1-2,4-6,10H2
InChIKeyZIHHZOIWHDMGCS-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.37
Rot. Bonds3

About 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine (PubChem CID 102648260) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine
PubChem CID102648260
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)C1=CCCCO1
InChIInChI=1S/C8H14FNO/c9-7(4-5-10)8-3-1-2-6-11-8/h3,7H,1-2,4-6,10H2
InChIKeyZIHHZOIWHDMGCS-UHFFFAOYSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine (CID 102648260) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine is NCCC(F)C1=CCCCO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine?
The InChIKey is ZIHHZOIWHDMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7(4-5-10)8-3-1-2-6-11-8/h3,7H,1-2,4-6,10H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine has a molecular weight of 159.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 102648260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).