N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine

C10H16F3NO — CID 115516417

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCC=CO1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h2,7,9,14H,1,3-6,8H2
InChIKeyVYAIXLUISFXBAT-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.61
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115516417) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115516417
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CCC=CO1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h2,7,9,14H,1,3-6,8H2
InChIKeyVYAIXLUISFXBAT-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine (CID 115516417) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is VYAIXLUISFXBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h2,7,9,14H,1,3-6,8H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 223.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115516417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).