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

C9H16FNO — CID 130589535

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)C1=COCCC1
InChIInChI=1S/C9H16FNO/c1-9(2,11)8(10)7-4-3-5-12-6-7/h6,8H,3-5,11H2,1-2H3
InChIKeyDABZFSUPSQPSPG-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.76
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine (PubChem CID 130589535) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine
PubChem CID130589535
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)C1=COCCC1
InChIInChI=1S/C9H16FNO/c1-9(2,11)8(10)7-4-3-5-12-6-7/h6,8H,3-5,11H2,1-2H3
InChIKeyDABZFSUPSQPSPG-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-2-methylbutan-2-amine
CID 130538833
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorobutan-2-amine
CID 130574668
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589730
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604685
4-(2,3-Dihydrofuran-4-yl)-4-fluoro-2-methylbutan-2-amine
CID 133633427
3-(3,4-dihydro-2H-pyran-5-yl)-1,1-difluoro-2-methylpropan-2-amine
CID 165783518
1-[(3,4-dihydro-2H-pyran-5-yl)methyl]cyclopropan-1-amine
CID 165670692
2-amino-3-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-ol
CID 165709463
1-[2-(3,4-dihydro-2H-pyran-5-yl)ethyl]cyclopropan-1-amine
CID 165759952
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-2-yl](methyl)amine
CID 165783818
4-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-2-amine
CID 165784476
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-2-amine
CID 165785267

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine (CID 130589535) is 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine is CC(C)(N)C(F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine?
The InChIKey is DABZFSUPSQPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2,11)8(10)7-4-3-5-12-6-7/h6,8H,3-5,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-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 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine is sourced from PubChem (CID 130589535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).