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

C8H14FNO — CID 105431235

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCOCC1
InChIInChI=1S/C8H14FNO/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3
InChIKeyUIKHTZJWJWHNNV-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.02
Rot. Bonds2

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

2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine (PubChem CID 105431235) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine
PubChem CID105431235
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1=CCOCC1
InChIInChI=1S/C8H14FNO/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3
InChIKeyUIKHTZJWJWHNNV-UHFFFAOYSA-N
XLogP1.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine (CID 105431235) is 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine?
The InChIKey is UIKHTZJWJWHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(9,6-10)7-2-4-11-5-3-7/h2H,3-6,10H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine?
2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine has a molecular weight of 159.20 g/mol, XLogP of 1.02, 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-fluoropropan-1-amine is sourced from PubChem (CID 105431235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).