N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C10H18F3NO2 — CID 66276626

IUPACN-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCCNCC1CCOC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(10(11,12)13)16-5-3-14-6-9-2-4-15-7-9/h8-9,14H,2-7H2,1H3
InChIKeyZOKGFVZFGOOEBS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66276626) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66276626
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OCCNCC1CCOC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8(10(11,12)13)16-5-3-14-6-9-2-4-15-7-9/h8-9,14H,2-7H2,1H3
InChIKeyZOKGFVZFGOOEBS-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66276626) is N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OCCNCC1CCOC1)C(F)(F)F.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is ZOKGFVZFGOOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(10(11,12)13)16-5-3-14-6-9-2-4-15-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66276626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).