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

C9H16FNO — CID 130604666

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)C1=CCCCO1
InChIInChI=1S/C9H16FNO/c1-7(6-11)9(10)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6,11H2,1H3
InChIKeyANABOCFEFVBSPA-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.61
Rot. Bonds3

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

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 130604666) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
PubChem CID130604666
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)C1=CCCCO1
InChIInChI=1S/C9H16FNO/c1-7(6-11)9(10)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6,11H2,1H3
InChIKeyANABOCFEFVBSPA-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
CID 107443210
2-butan-2-ylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647531
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxybutyl]hydrazine
CID 102650137
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine (CID 130604666) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine is CC(CN)C(F)C1=CCCCO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is ANABOCFEFVBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(6-11)9(10)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6,11H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 173.23 g/mol, XLogP of 1.61, 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-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130604666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).