1-(4-chlorophenyl)-2,2,2-trifluoroethanamine

C8H7ClF3N — CID 24693275

IUPAC1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2
InChIKeyZGFGADXCVWZZHD-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.90
Rot. Bonds1

About 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine

1-(4-chlorophenyl)-2,2,2-trifluoroethanamine (PubChem CID 24693275) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
PubChem CID24693275
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2
InChIKeyZGFGADXCVWZZHD-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine (CID 24693275) is 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine is NC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
The InChIKey is ZGFGADXCVWZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2.
What are the key properties of 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine?
1-(4-chlorophenyl)-2,2,2-trifluoroethanamine has a molecular weight of 209.60 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 24693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).