4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine

C10H11F4NO — CID 43753286

IUPAC4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
SMILESNCCC(Oc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-7-1-3-8(4-2-7)16-9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyVLPUTHSCUOAPHT-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.48
Rot. Bonds4

About 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine

4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine (PubChem CID 43753286) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
PubChem CID43753286
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
SMILESNCCC(Oc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-7-1-3-8(4-2-7)16-9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyVLPUTHSCUOAPHT-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
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-(4-fluorophenoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine (CID 43753286) is 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine is NCCC(Oc1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine?
The InChIKey is VLPUTHSCUOAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-7-1-3-8(4-2-7)16-9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2.
What are the key properties of 4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine?
4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine has a molecular weight of 237.20 g/mol, XLogP of 2.48, 4 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-(4-fluorophenoxy)butan-1-amine is sourced from PubChem (CID 43753286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).