4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine

C10H18F3NO2 — CID 104760780

IUPAC4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
SMILESCOC1(CNCCCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c1-15-9(4-6-16-8-9)7-14-5-2-3-10(11,12)13/h14H,2-8H2,1H3
InChIKeyPCVYMFBTFZIQBH-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds6

About 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine

4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine (PubChem CID 104760780) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
PubChem CID104760780
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
SMILESCOC1(CNCCCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c1-15-9(4-6-16-8-9)7-14-5-2-3-10(11,12)13/h14H,2-8H2,1H3
InChIKeyPCVYMFBTFZIQBH-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine (CID 104760780) is 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine is COC1(CNCCCC(F)(F)F)CCOC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The InChIKey is PCVYMFBTFZIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-15-9(4-6-16-8-9)7-14-5-2-3-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 104760780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).