1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine

C11H12Cl2F3NO — CID 82711122

IUPAC1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2F3NO/c1-2-10(17-18-6-11(14,15)16)7-3-4-8(12)9(13)5-7/h3-5,10,17H,2,6H2,1H3
InChIKeyZDPCKOWBLHYZSR-UHFFFAOYSA-N
MW302.12 g/mol
LogP4.53
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine

1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82711122) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82711122
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2F3NO/c1-2-10(17-18-6-11(14,15)16)7-3-4-8(12)9(13)5-7/h3-5,10,17H,2,6H2,1H3
InChIKeyZDPCKOWBLHYZSR-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82711122) is 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine is CCC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ZDPCKOWBLHYZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO/c1-2-10(17-18-6-11(14,15)16)7-3-4-8(12)9(13)5-7/h3-5,10,17H,2,6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 302.12 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 82711122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).