1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine

C11H20F3NO2 — CID 62382402

IUPAC1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine
SMILESCCC(N)C(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-9(15)10(11(12,13)14)17-7-8-3-5-16-6-4-8/h8-10H,2-7,15H2,1H3
InChIKeyPTNGHKOCWAFPKX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds5

About 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine

1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine (PubChem CID 62382402) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine
PubChem CID62382402
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine
SMILESCCC(N)C(OCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-9(15)10(11(12,13)14)17-7-8-3-5-16-6-4-8/h8-10H,2-7,15H2,1H3
InChIKeyPTNGHKOCWAFPKX-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine (CID 62382402) is 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine is CCC(N)C(OCC1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine?
The InChIKey is PTNGHKOCWAFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-9(15)10(11(12,13)14)17-7-8-3-5-16-6-4-8/h8-10H,2-7,15H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine?
1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine is sourced from PubChem (CID 62382402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).