4,4,4-trifluoro-3-phenylmethoxybutan-1-amine

C11H14F3NO — CID 43753253

IUPAC4,4,4-trifluoro-3-phenylmethoxybutan-1-amine
SMILESNCCC(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(6-7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2
InChIKeyBZAMZUFDUMZNBS-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.48
Rot. Bonds5

About 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine

4,4,4-trifluoro-3-phenylmethoxybutan-1-amine (PubChem CID 43753253) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-phenylmethoxybutan-1-amine
PubChem CID43753253
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4,4,4-trifluoro-3-phenylmethoxybutan-1-amine
SMILESNCCC(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(6-7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2
InChIKeyBZAMZUFDUMZNBS-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine (CID 43753253) is 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine is NCCC(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine?
The InChIKey is BZAMZUFDUMZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)10(6-7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2.
What are the key properties of 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine?
4,4,4-trifluoro-3-phenylmethoxybutan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-phenylmethoxybutan-1-amine is sourced from PubChem (CID 43753253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).