3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine

C10H10Cl2F3NO — CID 43753362

IUPAC3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO/c11-6-1-2-7(12)8(5-6)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyOKFQUXQRVGPUQW-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.65
Rot. Bonds4

About 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine

3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753362) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID43753362
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO/c11-6-1-2-7(12)8(5-6)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyOKFQUXQRVGPUQW-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine (CID 43753362) is 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine is NCCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is OKFQUXQRVGPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c11-6-1-2-7(12)8(5-6)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2.
What are the key properties of 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine?
3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 288.10 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).