3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol

C10H10Cl2F3NO2 — CID 63902059

IUPAC3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESNCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,17H,3-4,16H2
InChIKeyLYGOUQKRVXELOW-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.75
Rot. Bonds4

About 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol

3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 63902059) has the molecular formula C10H10Cl2F3NO2 and a molecular weight of 304.10 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID63902059
Molecular FormulaC10H10Cl2F3NO2
Molecular Weight304.10 g/mol
Exact Mass303.00
IUPAC Name3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESNCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,17H,3-4,16H2
InChIKeyLYGOUQKRVXELOW-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol (CID 63902059) is 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol is NCc1cc(Cl)cc(Cl)c1OCC(O)C(F)(F)F.
What is the InChIKey of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LYGOUQKRVXELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO2/c11-6-1-5(3-16)9(7(12)2-6)18-4-8(17)10(13,14)15/h1-2,8,17H,3-4,16H2.
What are the key properties of 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 304.10 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63902059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).