5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine

C10H18F3NO — CID 79953746

IUPAC5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2
InChIKeyRVALHYUYOVDXDX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine

5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine (PubChem CID 79953746) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
PubChem CID79953746
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2
InChIKeyRVALHYUYOVDXDX-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine (CID 79953746) is 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine is NC(CCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is RVALHYUYOVDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9H,1-7,14H2.
What are the key properties of 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine?
5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 79953746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).