N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine

C9H16FNO — CID 115742343

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1=CCCOC1
InChIInChI=1S/C9H16FNO/c10-4-2-5-11-7-9-3-1-6-12-8-9/h3,11H,1-2,4-8H2
InChIKeyWOPHZGWKVMCPSI-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.28
Rot. Bonds5

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine (PubChem CID 115742343) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
PubChem CID115742343
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1=CCCOC1
InChIInChI=1S/C9H16FNO/c10-4-2-5-11-7-9-3-1-6-12-8-9/h3,11H,1-2,4-8H2
InChIKeyWOPHZGWKVMCPSI-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydropyridin-5-ylmethoxymethanimidoyl fluoride
CID 18960966
4-(2,2,2-Trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404454
4-(2,2-Difluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404638
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
4-(3,3,3-Trifluoropropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404641
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115741802
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115757862
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-fluoro-3,6-dihydro-2H-pyridine
CID 124291824
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine (CID 115742343) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine is FCCCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine?
The InChIKey is WOPHZGWKVMCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-4-2-5-11-7-9-3-1-6-12-8-9/h3,11H,1-2,4-8H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine has a molecular weight of 173.23 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 115742343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).