2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine

C9H8Cl2F3NO — CID 43752865

IUPAC2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO/c10-5-1-2-6(11)7(3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyQDOIUBFOSWRERR-UHFFFAOYSA-N
MW274.07 g/mol
LogP3.26
Rot. Bonds3

About 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine

2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752865) has the molecular formula C9H8Cl2F3NO and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID43752865
Molecular FormulaC9H8Cl2F3NO
Molecular Weight274.07 g/mol
Exact Mass272.99
IUPAC Name2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO/c10-5-1-2-6(11)7(3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyQDOIUBFOSWRERR-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine (CID 43752865) is 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine is NCC(Oc1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is QDOIUBFOSWRERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3NO/c10-5-1-2-6(11)7(3-5)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine?
2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 274.07 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).