1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

C8H7Cl2F4N — CID 86775706

IUPAC1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(c1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H6ClF4N.ClH/c9-5-3-4(1-2-6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H
InChIKeyOERCSHIAHLZAHM-UHFFFAOYSA-N
MW264.05 g/mol
LogP3.46
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 86775706) has the molecular formula C8H7Cl2F4N and a molecular weight of 264.05 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID86775706
Molecular FormulaC8H7Cl2F4N
Molecular Weight264.05 g/mol
Exact Mass262.99
IUPAC Name1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(c1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H6ClF4N.ClH/c9-5-3-4(1-2-6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H
InChIKeyOERCSHIAHLZAHM-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 86775706) is 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cl.NC(c1ccc(F)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is OERCSHIAHLZAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF4N.ClH/c9-5-3-4(1-2-6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 264.05 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 86775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).