7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

C12H14ClF3N2 — CID 11818287

IUPAC7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESFC(F)(F)CNc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C12H14ClF3N2/c13-10-2-1-8-3-5-17-6-4-9(8)11(10)18-7-12(14,15)16/h1-2,17-18H,3-7H2
InChIKeyWBGGNEYAISWPRL-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.00
Rot. Bonds2

About 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (PubChem CID 11818287) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

Molecular Properties

Compound Name7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
PubChem CID11818287
Molecular FormulaC12H14ClF3N2
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESFC(F)(F)CNc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C12H14ClF3N2/c13-10-2-1-8-3-5-17-6-4-9(8)11(10)18-7-12(14,15)16/h1-2,17-18H,3-7H2
InChIKeyWBGGNEYAISWPRL-UHFFFAOYSA-N
XLogP3.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The IUPAC name of 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (CID 11818287) is 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.
What is the SMILES notation for 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The canonical SMILES for 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is FC(F)(F)CNc1c(Cl)ccc2c1CCNCC2.
What is the InChIKey of 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The InChIKey is WBGGNEYAISWPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-2-1-8-3-5-17-6-4-9(8)11(10)18-7-12(14,15)16/h1-2,17-18H,3-7H2.
What are the key properties of 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine has a molecular weight of 278.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is sourced from PubChem (CID 11818287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).