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

C10H18FNO — CID 102648255

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)C1=CCCCO1
InChIInChI=1S/C10H18FNO/c1-8(2)10(11,7-12)9-5-3-4-6-13-9/h5,8H,3-4,6-7,12H2,1-2H3
InChIKeyRZGAJXJAIVVSJI-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.00
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 102648255) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine
PubChem CID102648255
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)C1=CCCCO1
InChIInChI=1S/C10H18FNO/c1-8(2)10(11,7-12)9-5-3-4-6-13-9/h5,8H,3-4,6-7,12H2,1-2H3
InChIKeyRZGAJXJAIVVSJI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine (CID 102648255) is 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine is CC(C)C(F)(CN)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is RZGAJXJAIVVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)10(11,7-12)9-5-3-4-6-13-9/h5,8H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine?
2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 187.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 102648255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).