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

C10H18FNO — CID 130538833

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)C1=COCCC1
InChIInChI=1S/C10H18FNO/c1-10(2,12)6-9(11)8-4-3-5-13-7-8/h7,9H,3-6,12H2,1-2H3
InChIKeyPIQFPDBYKOVEJF-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.15
Rot. Bonds3

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

4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine (PubChem CID 130538833) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine
PubChem CID130538833
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)C1=COCCC1
InChIInChI=1S/C10H18FNO/c1-10(2,12)6-9(11)8-4-3-5-13-7-8/h7,9H,3-6,12H2,1-2H3
InChIKeyPIQFPDBYKOVEJF-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,4-dihydro-2H-pyran-5-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443842
1-(3,4-dihydro-2H-pyran-5-yl)-1-fluoro-2-methylpropan-2-amine
CID 130589535
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
1-[2-(3,4-dihydro-2H-pyran-5-yl)ethyl]cyclopropan-1-amine
CID 165759952
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 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine (CID 130538833) is 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine is CC(C)(N)CC(F)C1=COCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine?
The InChIKey is PIQFPDBYKOVEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2,12)6-9(11)8-4-3-5-13-7-8/h7,9H,3-6,12H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine?
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine has a molecular weight of 187.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130538833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).