1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine

C10H12F3NO — CID 67504449

IUPAC1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine
SMILESCC(N)(OC(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c1-10(14,15-9(13)8(11)12)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3
InChIKeyYRNMSVKBJRZPAP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.40
Rot. Bonds4

About 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine

1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine (PubChem CID 67504449) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine
PubChem CID67504449
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine
SMILESCC(N)(OC(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c1-10(14,15-9(13)8(11)12)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3
InChIKeyYRNMSVKBJRZPAP-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 16227394
CID 16227394
CID 131851352
CID 131851352
CID 44326281
CID 44326281
CID 68987189
CID 68987189
CID 12164756
CID 12164756
CID 14066908
CID 14066908
CID 58611142
CID 58611142
CID 58611144
CID 58611144
CID 16794179
CID 16794179
CID 84734028
CID 84734028
CID 117278172
CID 117278172
CID 134858821
CID 134858821

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine (CID 67504449) is 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine is CC(N)(OC(F)C(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YRNMSVKBJRZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-10(14,15-9(13)8(11)12)7-5-3-2-4-6-7/h2-6,8-9H,14H2,1H3.
What are the key properties of 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine?
1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(1,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 67504449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).