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

C10H18FNO — CID 130589730

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)C(F)C1=COCCC1
InChIInChI=1S/C10H18FNO/c1-10(2,12-3)9(11)8-5-4-6-13-7-8/h7,9,12H,4-6H2,1-3H3
InChIKeyKQWPFWBUQIUXMS-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.02
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine (PubChem CID 130589730) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine
PubChem CID130589730
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)C(F)C1=COCCC1
InChIInChI=1S/C10H18FNO/c1-10(2,12-3)9(11)8-5-4-6-13-7-8/h7,9,12H,4-6H2,1-3H3
InChIKeyKQWPFWBUQIUXMS-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446859
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine
CID 130538833
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine
CID 130589535
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-2-methylpropan-1-amine
CID 130604685
1-[(3,4-dihydro-2H-pyran-5-yl)methyl]-N-methylcyclopropan-1-amine
CID 165628228
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-2-yl](methyl)amine
CID 165783818
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-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine (CID 130589730) is 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine is CNC(C)(C)C(F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
The InChIKey is KQWPFWBUQIUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2,12-3)9(11)8-5-4-6-13-7-8/h7,9,12H,4-6H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-N,2-dimethylpropan-2-amine has a molecular weight of 187.26 g/mol, XLogP of 2.02, 3 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-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 130589730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).