3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine

C9H16FNO — CID 130574668

IUPAC3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)C1=COCCC1
InChIInChI=1S/C9H16FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h6-7H,3-5,11H2,1-2H3
InChIKeyQMYCNHISGLZBLH-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.76
Rot. Bonds2

About 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine

3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine (PubChem CID 130574668) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
PubChem CID130574668
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)C1=COCCC1
InChIInChI=1S/C9H16FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h6-7H,3-5,11H2,1-2H3
InChIKeyQMYCNHISGLZBLH-UHFFFAOYSA-N
XLogP1.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392694
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
2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropropan-1-amine
CID 104059476
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
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoropropan-1-amine
CID 104277098
2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443842

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine (CID 130574668) is 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine is CC(N)C(C)(F)C1=COCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine?
The InChIKey is QMYCNHISGLZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine?
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine has a molecular weight of 173.23 g/mol, XLogP of 1.76, 2 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-5-yl)-3-fluorobutan-2-amine is sourced from PubChem (CID 130574668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).