4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine

C11H20FNO2 — CID 103392694

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=COCCC1
InChIInChI=1S/C11H20FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h8H,2-7,9,13H2,1H3
InChIKeyMTQYMUNUWAZPKN-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.77
Rot. Bonds6

About 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine

4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392694) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392694
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=COCCC1
InChIInChI=1S/C11H20FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h8H,2-7,9,13H2,1H3
InChIKeyMTQYMUNUWAZPKN-UHFFFAOYSA-N
XLogP1.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-pyran-5-yl)-4-fluorocyclohexan-1-amine
CID 104059466
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorocyclobutan-1-amine
CID 104059472
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorocyclopentan-1-amine
CID 104059478
2-(3,4-dihydro-2H-pyran-5-yl)-2-fluorobutan-1-amine
CID 104059479
2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 104059481
2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-3-methylbutan-1-amine
CID 104059482
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorocyclohexan-1-amine
CID 104059484
2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropentan-1-amine
CID 104059485
4-(Cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655075
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443842
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
CID 130574668
4-(2,3-Dihydrofuran-4-yl)-4-fluorocyclohexan-1-amine
CID 130579611

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392694) is 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1=COCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is MTQYMUNUWAZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h8H,2-7,9,13H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).